ST8154AA1
HIT217583371
sdf文件结构编辑类似物检索
HIT ID: HIT217583371
Cas No: 2247025-59-6
分子式: C36H51N5O8S
分子量: 713.89
常用名: ST8154AA1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1r,4r)-4-{[6-(2,5-dioxo-3-{[(6S)-6-{[(2R)-5-oxopyrrolidin-2-yl]formamido}-6-(phenylcarbamoyl)hexyl]sulfanyl}pyrrolidin-1-yl)hexanamido]methyl}cyclohexane-1-carboxylic acid
IUPAC: (1r,4r)-4-{[6-(2,5-dioxo-3-{[(6S)-6-{[(2R)-5-oxopyrrolidin-2-yl]formamido}-6-(phenylcarbamoyl)hexyl]sulfanyl}pyrrolidin-1-yl)hexanamido]methyl}cyclohexane-1-carboxylic acid
SMILES: OC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCN2C(=O)CC(SCCCCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C(=O)Nc3ccccc3)C2=O)CC1
SMILES: OC(=O)[C@H]1CC[C@H](CNC(=O)CCCCCN2C(=O)CC(SCCCCC[C@H](NC(=O)[C@H]3CCC(=O)N3)C(=O)Nc3ccccc3)C2=O)CC1
InChI key: IRKIVQOPWMXRLA-QQFDSYCMSA-N
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