Biotin-BMCC
HIT218887530
sdf文件结构编辑类似物检索
HIT ID: HIT218887530
Cas No: 188682-72-6
分子式: C26H39N5O5S
分子量: 533.69
常用名: Biotin-BMCC
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[4-({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)butyl]pentanamide
IUPAC: 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[4-({4-[(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]cyclohexyl}formamido)butyl]pentanamide
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCCNC(=O)C3CCC(CN4C(=O)C=CC4=O)CC3)[C@@]1([H])NC(=O)N2
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCCNC(=O)C3CCC(CN4C(=O)C=CC4=O)CC3)[C@@]1([H])NC(=O)N2
InChI key: ZKTPOUXCUHYLDZ-SAYNGHPTSA-N
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