SIRT1/2/3-IN-1
HIT218850615
sdf文件结构编辑类似物检索
HIT ID: HIT218850615
Cas No: 2413212-06-1
分子式: C46H63N9O8S2
分子量: 934.19
常用名: SIRT1/2/3-IN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-6-ethanethioamido-2-{[(8S,11S)-8-[(1H-imidazol-5-yl)methyl]-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]formamido}-N-[(10S,13S)-10-[2-(methylsulfanyl)ethyl]-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]hexanamide
IUPAC: (2S)-6-ethanethioamido-2-{[(8S,11S)-8-[(1H-imidazol-5-yl)methyl]-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]formamido}-N-[(10S,13S)-10-[2-(methylsulfanyl)ethyl]-9,12-dioxo-2-oxa-8,11-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]hexanamide
SMILES: CSCC[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCCNC1=O)cc2)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N1)cc2
SMILES: CSCC[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCCCNC1=O)cc2)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N1)cc2
InChI key: ZBRJJUKVURYJIL-HECCNADXSA-N
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