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Arginine-glycine-aspartic acid
CAS: 99896-85-2 | C12H22N6O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99896-85-2
Molecular Formula:
C12H22N6O6
Molecular Weight:
346.3440000000001 g/mol
Names and Synonyms:
Arginine-glycine-aspartic acid
81: PN: US6001965 SEQID: 81 claimed protein
1: PN: WO0004941 PAGE: 31 claimed protein
Arginylglycylaspartic Acid
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
Arginylglycylaspartic acid
Arg-Gly-Asp
Identifiers:
SMILES:
N=C(N)NCCC[C@H](N)C(O)=NCC(O)=N[C@@H](CC(=O)O)C(=O)O
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 346.3440000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 346.1600824239999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 8 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 11 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 227.7 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.582129999999995 | RDKit |
| molecular_mass | 346.34 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Arginylglycylaspartic_acid None | Legacy Database |
| cas-canonical-smile | O=C(O)CC(NC(=O)CNC(=O)C(N)CCCNC(=N)N)C(=O)O None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=IYMAXBFPHPZYIK-BQBZGAKWSA-N None | Legacy Database |
| cas-melting-point | 153-155 °C @ Solvent: Diethyl ether None | Legacy Database |
| cas-name | Arginine-glycine-aspartic acid None | Legacy Database |
| wikipedia-name | Arginylglycylaspartic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 85.79740000000002 | RDKit |
