Seryl-phenylalanyl-octahydroindole-2-carbonyl-arginine
(2S)-2-[2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl-[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Also Known As: Ser-phe-oic-arg|KST-1A2067|Seryl-phenylalanyl-octahydroindole-2-carbonyl-arginine|(2S)-2-[2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl-[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid|(2s)-2-{[(2r)-2-{[(2s)-2-amino-3-hydroxypropanoyl]amino}-3-phenylpropanoyl](octahydro-1h-indol-2-ylcarbonyl)amino}-5-[(diaminomethylidene)amino]pentanoic acid(non-preferred name)
| Molecular Formula | C27H41N7O6 |
|---|---|
| Molecular Weight | 559.3118 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 559.3118 |
| Monoisotopic Mass | 559.3118 |
| Heavy Atoms | 40 |
| Complexity | 921.0 |
Chemical Identifiers
| CAS Number | 1772-57-2 |
|---|---|
| SMILES | C1CCC2C(C1)CC(N2)C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)N |
| InChIKey | QRTGMFJIAAHXDZ-HICBPSBKSA-N |
Product Overview
Seryl-phenylalanyl-octahydroindole-2-carbonyl-arginine (CAS 1772-57-2), with molecular formula C27H41N7O6 and molecular weight 559.3118 g/mol. IUPAC: (2S)-2-[2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl-[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid.