Rifampicin-13C-d3
HIT218833562
sdf文件结构编辑类似物检索
HIT ID: HIT218833562
Cas No:
分子式: C43H58N4O12
分子量: 826.964
常用名: Rifampicin-13C-d3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-({[4-(13C,2H3)methylpiperazin-1-yl]imino}methyl)-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate
IUPAC: (7S,9Z,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-({[4-(13C,2H3)methylpiperazin-1-yl]imino}methyl)-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-13-yl acetate
SMILES: [2H][13C]([2H])([2H])N1CCN(CC1)N=Cc1c(O)c2c3C(=O)[C@]4(C)Oc3c(C)c(O)c2c(O)c1NC(=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](C)[C@@H](OC)\C=C/O4
SMILES: [2H][13C]([2H])([2H])N1CCN(CC1)N=Cc1c(O)c2c3C(=O)[C@]4(C)Oc3c(C)c(O)c2c(O)c1NC(=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](C)[C@@H](OC)\C=C/O4
InChI key: JQXXHWHPUNPDRT-FVPWCPMGSA-N
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