Arginylglycylaspartic acid

C12H22N6O6CAS 99896-85-2346.34 g/mol

Open in Covalent MOL file
NHH2NNHNH2ONHONHOOHOOH
Carboxylic acidGuanidinePrimary amine

Properties

Molecular formula
C12H22N6O6
Molar mass
346.34 g/mol
Exact mass
346.1601 Da
Melting point
153–155 °C
logP
-1.58Crippen estimate
Polar surface area
227.7 Ų
H-bond donors / acceptors
8 / 6
Rotatable bonds
11
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS 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
InChIKey
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

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

Work with Arginylglycylaspartic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-Arginine L-pyroglutamate56265-06-663 % similar Arginine aspartate7675-83-461 % similar D-Arginine157-06-256 % similar (±)-Arginine7200-25-156 % similar Arginine74-79-356 % similar Arginine glutamate4320-30-355 % similar L-(+)-Arginine monohydrochloride1119-34-253 % similar Arginine hydrochloride15595-35-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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