Name: FCE-27164
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219647149
Cas No:
常用名:FCE-27164
别名:FCE27164
IUPAC:hexasodium 7-{1-methyl-4-[1-methyl-4-({[1-methyl-5-({1-methyl-5-[(4,6,8-trisulfonatonaphthalen-2-yl)carbamoyl]-1H-pyrrol-3-yl}carbamoyl)-1H-pyrrol-3-yl]carbamoyl}amino)-1H-pyrrole-2-amido]-1H-pyrrole-2-amido}naphthalene-1,3,5-trisulfonate
IUPAC:hexasodium 7-{1-methyl-4-[1-methyl-4-({[1-methyl-5-({1-methyl-5-[(4,6,8-trisulfonatonaphthalen-2-yl)carbamoyl]-1H-pyrrol-3-yl}carbamoyl)-1H-pyrrol-3-yl]carbamoyl}amino)-1H-pyrrole-2-amido]-1H-pyrrole-2-amido}naphthalene-1,3,5-trisulfonate
InChI key:InChIKey=NZHCYYWAUSIDGC-UHFFFAOYSA-H

分子式:C45H34N10Na6O23S6
分子量:1413.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(c5cc(cc(c5c4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(c3cc(cc(c3c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)n(C)c1
SMILES:[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cn1cc(NC(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(c5cc(cc(c5c4)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)n(C)c3)n(C)c2)cc1C(=O)Nc1cc(C(=O)Nc2cc(c3cc(cc(c3c2)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)n(C)c1

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