DGN462
HIT212667069
sdf文件结构编辑类似物检索
HIT ID: HIT212667069
Cas No: 1394079-41-4
分子式: C53H59N5O9S
分子量: 942.14
常用名: DGN462
氢键受体数 (HBA): 12
氢键供体数 (HBD): 2
LogP: 7.5320225
IUPAC: (11S)-5-methoxy-6-{[3-({[(11S)-5-methoxy-2-oxo-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,13(18),14,16-hexaen-6-yl]oxy}methyl)-5-(13-methyl-13-sulfanyl-2,5,8-trioxa-11-azatetradecan-11-yl)phenyl]methoxy}-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,9,13(18),14,16-heptaen-2-one
IUPAC: (11S)-5-methoxy-6-{[3-({[(11S)-5-methoxy-2-oxo-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,13(18),14,16-hexaen-6-yl]oxy}methyl)-5-(13-methyl-13-sulfanyl-2,5,8-trioxa-11-azatetradecan-11-yl)phenyl]methoxy}-1,9-diazatetracyclo[9.7.0.0^{3,8}.0^{13,18}]octadeca-3,5,7,9,13(18),14,16-heptaen-2-one
SMILES: [H][C@@]12Cc3ccccc3N1C(=O)c1cc(OC)c(OCc3cc(COc4cc5N=C[C@]6([H])Cc7ccccc7N6C(=O)c5cc4OC)cc(c3)N(CCOCCOCCOC)CC(C)(C)S)cc1NC2 |c:30|
SMILES: [H][C@@]12Cc3ccccc3N1C(=O)c1cc(OC)c(OCc3cc(COc4cc5N=C[C@]6([H])Cc7ccccc7N6C(=O)c5cc4OC)cc(c3)N(CCOCCOCCOC)CC(C)(C)S)cc1NC2 |c:30|
InChI key: DOKWDOLZCMETIJ-ZAQUEYBZSA-N
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