Name: PZ703b
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214323526
Cas No:2471970-56-4
常用名:PZ703b
IUPAC:N'-{[(1R)-4-(4-chlorophenyl)-1-methyl-3-[(4-{4-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)carbamoyl]phenyl}piperazin-1-yl)methyl]cyclohex-3-en-1-yl]methyl}-N-[(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]decanediamide
IUPAC:N'-{[(1R)-4-(4-chlorophenyl)-1-methyl-3-[(4-{4-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-trifluoromethanesulfonylbenzenesulfonyl)carbamoyl]phenyl}piperazin-1-yl)methyl]cyclohex-3-en-1-yl]methyl}-N-[(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]decanediamide
InChI key:CWIUDSZQDVZITQ-QFNMACOTSA-N

分子式:C80H102ClF3N10O11S4
分子量:1600.44
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |t:34,@:93|
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |t:34,@:93|

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