CMLD012072
HIT212672059
sdf文件结构编辑类似物检索
HIT ID: HIT212672059
Cas No: 2368900-33-6
分子式: C32H32N2O7
分子量: 556.615
常用名: CMLD012072
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 4.0621076
IUPAC: methyl (1R,9R,10S,11R,12R)-14-cyclopropyl-12-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5,13-tetraene-11-carboxylate
IUPAC: methyl (1R,9R,10S,11R,12R)-14-cyclopropyl-12-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxa-13,15-diazatetracyclo[7.6.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5,13-tetraene-11-carboxylate
SMILES: COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]2(Oc3cc(OC)cc(OC)c3[C@@]22NC(=N[C@@]12O)C1CC1)c1ccc(OC)cc1 |c:29|
SMILES: COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]2(Oc3cc(OC)cc(OC)c3[C@@]22NC(=N[C@@]12O)C1CC1)c1ccc(OC)cc1 |c:29|
InChI key: KAEUWSZLWVZGMK-GAFFYMCOSA-N
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