BRD50837
HIT212712321
sdf文件结构编辑类似物检索
HIT ID: HIT212712321
Cas No: 1314295-24-3
分子式: C26H32ClN3O6S
分子量: 550.07
常用名: BRD50837
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 2.7442205
IUPAC: N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[(N-methyl4-chlorobenzenesulfonamido)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
IUPAC: N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[(N-methyl4-chlorobenzenesulfonamido)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
SMILES: C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O
SMILES: C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O
InChI key: DPCJYFXLXUKVAP-MFEFFIJZSA-N
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