TKN87180
HIT213831275
sdf文件结构编辑类似物检索
HIT ID: HIT213831275
Cas No: 756487-18-0
分子式: C37H49N5O8
分子量: 691.826
常用名: TKN87180
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: tert-butyl N-[(5S)-5-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-phenylpropanamido]-5-{[4-(hydroxymethyl)phenyl]carbamoyl}pentyl]carbamate
IUPAC: tert-butyl N-[(5S)-5-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-phenylpropanamido]-5-{[4-(hydroxymethyl)phenyl]carbamoyl}pentyl]carbamate
SMILES: CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1 |c:36|
SMILES: CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)Nc1ccc(CO)cc1 |c:36|
InChI key: TUPIPBYBJMCLLM-KYJUHHDHSA-N
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