MS33
HIT214323420
sdf文件结构编辑类似物检索
HIT ID: HIT214323420
Cas No: 2407449-11-8
分子式: C64H84F3N11O7S
分子量: 1208.5
常用名: MS33
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N'-[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-amido]-[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]undecanediamide
IUPAC: N-[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N'-[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-[6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-amido]-[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]undecanediamide
SMILES: CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCN(CCNC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1
SMILES: CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCN(CCNC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)CC2)c1
InChI key: GLYGYEQLMMPSAW-QWQPEEPRSA-N
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