CD-3400
HIT214319189
sdf文件结构编辑类似物检索
HIT ID: HIT214319189
Cas No: 35440-49-4
分子式: C33H38N2O8
分子量: 590.673
常用名: CD-3400
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: methyl (1R,15S,17R,18R,19S,20S)-17-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6,18-dimethoxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
IUPAC: methyl (1R,15S,17R,18R,19S,20S)-17-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6,18-dimethoxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate
SMILES: [H][C@]12C[C@@H](OC(=O)C=Cc3ccc(O)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 |w:7.6|
SMILES: [H][C@]12C[C@@H](OC(=O)C=Cc3ccc(O)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 |w:7.6|
InChI key: MMUMZMIKZXSFSD-LYDRAAEJSA-N
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