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Molecule

Arg-Gly-Asp

CAS: 99896-85-2 · C12H22N6O6

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
99896-85-2
Molecular Formula
C12H22N6O6
Molecular Mass
346.34 g/mol

Identifiers

CAS Registry Number

99896-85-2

SMILES

N=C(N)NCCC[C@H](N)C(O)=NCC(O)=N[C@@H](CC(=O)O)C(=O)O

InChI Key

IYMAXBFPHPZYIK-BQBZGAKWSA-N

InChI

InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1

Names and Synonyms

  • Arg-Gly-Asp Synonym
  • Arginylglycylaspartic Acid Synonym
  • Arginine-glycine-aspartic acid Synonym
  • 81: PN: US6001965 SEQID: 81 claimed protein Synonym
  • 1: PN: WO0004941 PAGE: 31 claimed protein Synonym
  • 1: PN: US6084066 SEQID: 1 claimed protein Synonym
  • 1: PN: WO0045856 PAGE: 199 claimed protein Synonym
  • 13: PN: US6147189 SEQID: 1 claimed protein Synonym
  • 1: PN: WO0147553 PAGE: 13 claimed protein Synonym
  • 4: PN: WO0147549 PAGE: 19 claimed protein Synonym
  • 503: PN: WO0183525 TABLE: 9 claimed protein Synonym
  • 49: PN: US6465427 PAGE: 134 claimed protein Synonym
  • 3: PN: JP2002369878 PAGE: 2 claimed protein Synonym
  • 3: PN: US6521211 PAGE: 151 claimed protein Synonym
  • 51: PN: WO03027151 PAGE: 64 claimed protein Synonym
  • 2: PN: JP2003038633 PAGE: 1 claimed protein Synonym
  • 73: PN: WO03044045 SEQID: 74 claimed protein Synonym
  • 2: PN: US20030113478 SEQID: 2 claimed protein Synonym
  • 10: PN: JP2003189848 PAGE: 2 claimed protein Synonym
  • 23: PN: WO03070749 PAGE: 36 claimed protein Synonym
  • 70: PN: WO03072542 SEQID: 75 claimed protein Synonym
  • 1: PN: WO03084980 SEQID: 5 claimed protein Synonym
  • 9: PN: US20030211141 SEQID: 9 unclaimed protein Synonym
  • 10: PN: WO2004013310 PAGE: 14 claimed protein Synonym
  • 2: PN: WO2004058305 PAGE: 39 claimed protein Synonym
  • 4: PN: WO2004071545 PAGE: 20 claimed protein Synonym
  • 24: PN: US6797807 PAGE: 59-60 claimed protein Synonym
  • 2: PN: JP2004344469 SEQID: 2 claimed protein Synonym
  • 1: PN: WO2005027990 SEQID: 1 claimed protein Synonym
  • 68: PN: WO2005118642 SEQID: 147 claimed protein Synonym
  • 2: PN: US20060233855 SEQID: 1 claimed protein Synonym
  • 4: PN: WO2007030469 PAGE: 47 claimed protein Synonym
  • 1338: PN: WO2007124090 SEQID: 1353 claimed protein Synonym
  • 1: PN: CN101264330 PAGE: 2 claimed protein Synonym
  • 2: PN: WO2008124834 PAGE: 26 claimed protein Synonym
  • 1: PN: US20080262614 SEQID: 1 unclaimed protein Synonym
  • 1: PN: WO2008150101 SEQID: 1 claimed protein Synonym
  • 2: PN: WO2009019685 PAGE: 12 claimed protein Synonym
  • 1: PN: JP2009072081 PAGE: 7 claimed protein Synonym
  • 61: PN: WO2009129263 SEQID: 48 unclaimed protein Synonym
  • 1337: PN: US20090258017 SEQID: 1353 claimed protein Synonym
  • 6: PN: KR20090132815 PAGE: 3 claimed protein Synonym
  • 6: PN: KR20090132911 SEQID: 101 claimed protein Synonym
  • 12: PN: FR2936247 PAGE: 26 claimed protein Synonym
  • 12: PN: WO2010034718 PAGE: 27 claimed protein Synonym
  • 1: PN: US20100099190 PAGE: 9 claimed protein Synonym
  • 8: PN: WO2010054316 SEQID: 8 unclaimed protein Synonym
  • 21: PN: WO2010050903 SEQID: 17 unclaimed protein Synonym
  • 1: PN: WO2010093333 PAGE: 19 unclaimed protein Synonym
  • 1: PN: WO2010094085 SEQID: 1 unclaimed protein Synonym
  • 1: PN: WO2010101627 PAGE: 108 claimed protein Synonym
  • 10: PN: WO2010125722 SEQID: 1 unclaimed protein Synonym
  • 1: PN: WO2010151159 PAGE: 33 claimed protein Synonym
  • 8: PN: WO2011025158 SEQID: 8 claimed protein Synonym
  • 25: PN: WO2011066511 SEQID: 25 unclaimed protein Synonym
  • 129: PN: US20110166072 SEQID: 2 unclaimed protein Synonym
  • 47: PN: WO2011081523 PAGE: 36 claimed protein Synonym
  • 12: PN: EP2343081 PAGE: 9 claimed protein Synonym
  • 1: PN: JP2011160854 PAGE: 2 claimed protein Synonym
  • 1: PN: US20110217365 PAGE: 47 claimed protein Synonym
  • 35: PN: US20110287045 SEQID: 2 claimed protein Synonym
  • 1: PN: WO2012060351 SEQID: 1 claimed protein Synonym
  • 11: PN: WO2012061443 SEQID: 9 unclaimed protein Synonym
  • 1: PN: EP2455104 SEQID: 3 claimed protein Synonym
  • 1: PN: WO2012065751 SEQID: 3 claimed protein Synonym
  • 5: PN: JP2012126720 SEQID: 5 unclaimed protein Synonym
  • 16: PN: WO2012103361 SEQID: 16 unclaimed protein Synonym
  • 8: PN: KR20120114072 SEQID: 8 claimed protein Synonym
  • RGD Synonym
  • 2: PN: WO2012146729 PAGE: 33 claimed protein Synonym
  • 6: PN: WO2012153616 SEQID: 5 unclaimed protein Synonym
  • 4: PN: KR20120134276 SEQID: 5 claimed protein Synonym
  • 1: PN: WO2013007839 PAGE: 96 claimed protein Synonym
  • 24: PN: WO2013001819 SEQID: 1 unclaimed protein Synonym
  • 7: PN: US20130052712 SEQID: 8 claimed protein Synonym
  • 5: PN: WO2013055905 SEQID: 5 unclaimed protein Synonym
  • Tripeptides, RGD Synonym
  • 3: PN: WO2014025890 SEQID: 3 claimed protein Synonym
  • 50: PN: WO2014042463 SEQID: 51 unclaimed protein Synonym
  • arginine-glycine-aspartatic acid (RGD) peptide Synonym
  • 1: PN: RU2543651 PAGE: 6 claimed sequence Synonym
  • 1: PN: KR20150027940 SEQID: 1 claimed protein Synonym
  • 9: PN: CN104740605 SEQID: 9 claimed protein Synonym
  • 101: PN: WO2015160770 PAGE: 103 claimed protein Synonym
  • 1: PN: KR20150126567 PAGE: 3 claimed sequence Synonym
  • 7: PN: CN105079780 SEQID: 7 claimed sequence Synonym
  • 1: PN: KR20160026441 SEQID: 16 claimed sequence Synonym
  • 1: PN: US20160271151 PAGE: 15 claimed sequence Synonym
  • 8: PN: KR20160113372 SEQID: 8 claimed sequence Synonym
  • 7: PN: CN106063928 SEQID: 7 claimed sequence Synonym
  • 8: PN: KR20160129982 SEQID: 8 claimed sequence Synonym
  • 1: PN: US20160355780 SEQID: 15 claimed sequence Synonym
  • 47: PN: WO2011081523 PAGE: 36 claimed sequence Synonym
  • 2: PN: WO2017078439 PAGE: 17 claimed sequence Synonym
  • 1: PN: JP2017085919 PAGE: 2 claimed sequence Synonym
  • 1: PN: KR20170136178 PAGE: 3 claimed sequence Synonym
  • 6: PN: CN107629114 SEQID: 17 claimed sequence Synonym
  • 2: PN: WO2018033928 SEQID: 6 claimed protein Synonym
  • 4: PN: WO2018044012 SEQID: 4 claimed protein Synonym
  • 2: PN: IL247369 SEQID: 6 claimed protein Synonym
  • 4: PN: KR20180024581 SEQID: 4 claimed sequence Synonym
  • 15: PN: US20180237740 SEQID: 15 claimed protein Synonym
  • 5: PN: US20180243419 PAGE: 16 claimed protein Synonym
  • RGD peptide Synonym
  • 15: PN: EP3415165 SEQID: 15 claimed protein Synonym
  • 52: PN: WO2018237010 SEQID: 52 claimed protein Synonym
  • 2: PN: WO2019046943 PAGE: 47 claimed sequence Synonym
  • 44: PN: US20190192738 PAGE: 22 claimed sequence Synonym
  • 1: PN: WO2020018418 PAGE: 17 claimed sequence Synonym
  • 4: PN: WO2020014106 SEQID: 23 claimed sequence Synonym
  • 4: PN: WO2020019022 PAGE: 45 claimed sequence Synonym
  • 3: PN: CN110804100 SEQID: 3 claimed protein Synonym
  • 6: PN: WO2020079303 SEQID: 9 claimed protein Synonym
  • 4: PN: WO2020097235 SEQID: 30 claimed protein Synonym
  • 52: PN: US20200222518 SEQID: 52 claimed protein Synonym
  • 3: PN: US20200239521 SEQID: 5 claimed sequence Synonym
  • 1: PN: US20200370021 SEQID: 15 claimed protein Synonym
  • 3: PN: WO2021021930 SEQID: 3 claimed sequence Synonym
  • 1: PN: WO2021096303 SEQID: 1 claimed protein Synonym
  • 1: PN: CN112794917 SEQID: 1 claimed protein Synonym
  • L-Aspartic acid, L-arginylglycyl- Synonym
  • L-Aspartic acid, N-(N-L-arginylglycyl)- Synonym
  • L-Arginylglycyl-L-aspartic acid Synonym
  • Arginylglycylaspartic acid Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 346.34 g/mol CAS Common Chemistry
346.3440000000001 g/mol RDKit
346.344 g/mol RDKit
Wikipedia Url https://en.wikipedia.org/wiki/Arginylglycylaspartic_acid CAS Common Chemistry
Canonical SMILES O=C(O)CC(NC(=O)CNC(=O)C(N)CCCNC(=N)N)C(=O)O CAS Common Chemistry
InChI InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1 CAS Common Chemistry
InChI Key InChIKey=IYMAXBFPHPZYIK-BQBZGAKWSA-N CAS Common Chemistry
Melting Point 153-155 °C @ Solvent: Diethyl ether CAS Common Chemistry
Name Arginine-glycine-aspartic acid CAS Common Chemistry
Arginylglycylaspartic acid CAS Common Chemistry
Heavy Atom Count 24 RDKit
Hydrogen Bond Acceptors 6 RDKit
Hydrogen Bond Donors 8 RDKit
Rotatable Bonds 11 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 227.7 Ų RDKit
215.85 Ų chempirical lib
LogP -1.582129999999995 RDKit
-1.5821 RDKit
Molar Refractivity 85.79740000000002 cm³/mol RDKit
Ring Count 0 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.5833 RDKit
0.58 chempirical lib
Exact Mass 346.1600824239999 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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MW = 346.34 g/mol. Edit any field — others recompute live.

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