MS41
HIT218909596
sdf文件结构编辑类似物检索
HIT ID: HIT218909596
Cas No: 2768610-97-3
分子式: C56H70N8O9S
分子量: 1031.28
常用名: MS41
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[(1R)-6-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2-oxazole-3-carboxamide
IUPAC: 5-[4-(dimethylcarbamoyl)-3-hydroxyphenyl]-N-[(1R)-6-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2-oxazole-3-carboxamide
SMILES: C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)c1ccc2CC[C@@H](NC(=O)c3cc(on3)-c3ccc(C(=O)N(C)C)c(O)c3)c2c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES: C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)c1ccc2CC[C@@H](NC(=O)c3cc(on3)-c3ccc(C(=O)N(C)C)c(O)c3)c2c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
InChI key: XPICNVKPGAOVBF-VCNVHFLLSA-N
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