TB-9
HIT219201052
sdf文件结构编辑类似物检索
HIT ID: HIT219201052
Cas No: 1415033-91-8
分子式: C55H76N8O12
分子量: 1041.257
常用名: TB-9
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-N,3-dimethylbutanamido]-4-carbamoylbutanamido]-3-hydroxy-5-phenylpentanamido]-4-methylpentanamido]-N-methylpropanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
IUPAC: methyl (2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-[(3S,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-N,3-dimethylbutanamido]-4-carbamoylbutanamido]-3-hydroxy-5-phenylpentanamido]-4-methylpentanamido]-N-methylpropanamido]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
SMILES: COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
SMILES: COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
InChI key: NXDIWJUYMKBICN-QDBLDGTHSA-N
共显示1个结果
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