WIN-64821
HIT106794776
sdf文件结构编辑类似物检索
HIT ID: HIT106794776
Cas No: 150881-27-9
分子式: C40H36N6O4
分子量: 664.766
常用名: WIN-64821
氢键受体数 (HBA): 6
氢键供体数 (HBD): 4
LogP: 3.367
IUPAC: (1R,4S,7S)-4-benzyl-9-[(1R,4S,7S)-4-benzyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-10(15),11,13-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-10(15),11,13-triene-3,6-dione
IUPAC: (1R,4S,7S)-4-benzyl-9-[(1R,4S,7S)-4-benzyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-10(15),11,13-trien-9-yl]-2,5,16-triazatetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-10(15),11,13-triene-3,6-dione
SMILES: O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1CC1([C@@H]2Nc2ccccc12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O
SMILES: O=C1N[C@@H](Cc2ccccc2)C(=O)N2[C@H]1CC1([C@@H]2Nc2ccccc12)C12C[C@@H]3N([C@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O
InChI key: ZEANERNKMXBETI-SWZCOEHCSA-N
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