Taberdivarine H
HIT214317131
sdf文件结构编辑类似物检索
HIT ID: HIT214317131
Cas No: 1662688-34-7
分子式: C20H23N2O2
分子量: 323.415
常用名: Taberdivarine H
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (11S,13E,14S,16S,18R)-18-carboxy-13-ethylidene-11-methyl-1,11-diazapentacyclo[12.3.1.0^{2,7}.0^{8,17}.0^{11,16}]octadeca-2,4,6,8(17)-tetraen-11-ium
IUPAC: (11S,13E,14S,16S,18R)-18-carboxy-13-ethylidene-11-methyl-1,11-diazapentacyclo[12.3.1.0^{2,7}.0^{8,17}.0^{11,16}]octadeca-2,4,6,8(17)-tetraen-11-ium
SMILES: [H][C@]12C[C@@]3([H])c4c(CC[N@@+]3(C)C\C1=C\C)c1ccccc1n4[C@H]2C(O)=O |TLB:23:22:9.11.12:2,THB:8:9:22.21.5:2,6:5:9.11.12:2,20:21:9.11.12:2|
SMILES: [H][C@]12C[C@@]3([H])c4c(CC[N@@+]3(C)C\C1=C\C)c1ccccc1n4[C@H]2C(O)=O |TLB:23:22:9.11.12:2,THB:8:9:22.21.5:2,6:5:9.11.12:2,20:21:9.11.12:2|
InChI key: MBYUFXAXLKULGV-FPJWGWASSA-O
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