cRGDfK-thioacetyl ester
HIT218851661
sdf文件结构编辑类似物检索
HIT ID: HIT218851661
Cas No: 393781-65-2
分子式: C31H45N9O9S
分子量: 719.82
常用名: cRGDfK-thioacetyl ester
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(2S,5R,8S,11S)-8-{4-[2-(acetylsulfanyl)acetamido]butyl}-5-benzyl-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
IUPAC: 2-[(2S,5R,8S,11S)-8-{4-[2-(acetylsulfanyl)acetamido]butyl}-5-benzyl-11-(3-carbamimidamidopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic acid
SMILES: CC(=O)SCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
SMILES: CC(=O)SCC(=O)NCCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
InChI key: FXPPTLMPDATYHN-GPJHCHHRSA-N
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