Strictamine
HIT212523989
sdf文件结构编辑类似物检索
HIT ID: HIT212523989
Cas No: 6475-05-4
分子式: C20H22N2O2
分子量: 322.408
常用名: Strictamine
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 2.9376998
IUPAC: methyl (1R,10S,12R,13E)-13-ethylidene-8,15-diazapentacyclo[10.5.1.0^{1,9}.0^{2,7}.0^{10,15}]octadeca-2,4,6,8-tetraene-18-carboxylate
IUPAC: methyl (1R,10S,12R,13E)-13-ethylidene-8,15-diazapentacyclo[10.5.1.0^{1,9}.0^{2,7}.0^{10,15}]octadeca-2,4,6,8-tetraene-18-carboxylate
SMILES: [H][C@@]12C[C@@H]3C(C(=O)OC)[C@@]4(CCN1C\C3=C\C)C2=Nc1ccccc41 |t:20,TLB:24:9:2:12.14.13,14:3:17:12.11.10,5:4:17:12.11.10,THB:10:9:2:12.14.13,5:4:2:12.14.13|
SMILES: [H][C@@]12C[C@@H]3C(C(=O)OC)[C@@]4(CCN1C\C3=C\C)C2=Nc1ccccc41 |t:20,TLB:24:9:2:12.14.13,14:3:17:12.11.10,5:4:17:12.11.10,THB:10:9:2:12.14.13,5:4:2:12.14.13|
InChI key: LITYYRLWHAQJQS-ZYJJEPLOSA-N
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