HIT ID: HIT212672327
Cas No: 1689540-62-2
分子式: C26H34N6O6S
分子量: 558.65
常用名: αvβ1 integrin-IN-1
氢键受体数 (HBA): 9
氢键供体数 (HBD): 6
LogP: -0.45273226
IUPAC: (2S)-2-{[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]formamido}-3-[4-(5-carbamimidamidopentanamido)phenyl]propanoic acid
IUPAC: (2S)-2-{[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]formamido}-3-[4-(5-carbamimidamidopentanamido)phenyl]propanoic acid
SMILES: NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
SMILES: NC(=N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1
InChI key: BLLLAUHTNAVSQR-VXKWHMMOSA-N
