Name: N-(7-Nitrobenzofurazan-4-yl)phallacidin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218848526
Cas No:73413-78-2
常用名:N-(7-Nitrobenzofurazan-4-yl)phallacidin
常用名:N-(7-Nitrobenzofurazan-4-yl)phallacidin
IUPAC:2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-(propan-2-yl)-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N-{2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl}acetamide
IUPAC:2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-(propan-2-yl)-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N-{2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl}acetamide
InChI key:VLODDNGPYAXAPW-UHFFFAOYSA-N

分子式:C45H57N13O15S
分子量:1052.09
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C1NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c(SCC(NC(=O)C(NC1=O)C(O)C(=O)NCCNc1ccc([N+]([O-])=O)c4nonc14)C(=O)N1CC(O)CC1C(=O)NC(C)C(=O)N2)[nH]c1ccccc31
SMILES:CC(C)C1NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c(SCC(NC(=O)C(NC1=O)C(O)C(=O)NCCNc1ccc([N+]([O-])=O)c4nonc14)C(=O)N1CC(O)CC1C(=O)NC(C)C(=O)N2)[nH]c1ccccc31

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