Rifalazil
HIT219156880
sdf文件结构编辑类似物检索
HIT ID: HIT219156880
Cas No: 129791-92-0
分子式: C51H64N4O13
分子量: 941.088
常用名: Rifalazil
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-[4-(2-methylpropyl)piperazin-1-yl]-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1^{4,7}.0^{5,36}.0^{26,35}.0^{28,33}]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl acetate
IUPAC: (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-30-[4-(2-methylpropyl)piperazin-1-yl]-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.1^{4,7}.0^{5,36}.0^{26,35}.0^{28,33}]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl acetate
SMILES: CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c5nc6c(cc(cc6=O)N6CCN(CC(C)C)CC6)oc5c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c4=O)c3=C2O
SMILES: CO[C@H]1\C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c5nc6c(cc(cc6=O)N6CCN(CC(C)C)CC6)oc5c(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c4=O)c3=C2O
InChI key: IXSVOCGZBUJEPI-CUWRHPIFSA-N
共显示1个结果
供应商规格单价货期纯度操作
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