基本情報
- CAS
6937-19-5- 標準SMILES
Cc1cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(C(=O)NCC(=O)O)cc3)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=Nc3ccc(C(=O)NCC(=O)O)cc3)c2c1O- InChIKey
MWQSXLDULCHKJX-UHFFFAOYSA-N- 分子式
- C48H46N4O12
- 平均分子量
- 870.9 g/mol
- 単同位体質量
- 870.31122292
名称と識別子
- 優先名称
- 2-[[4-[(E)-[7-[8-[(E)-[4-(carboxymethylcarbamoyl)phenyl]iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-1-naphthyl]methyleneamino]benzoyl]amino]acetic acid
- IUPAC
- 2-[[4-[[7-[8-[[4-(carboxymethylcarbamoyl)phenyl]iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalen-1-yl]methylideneamino]benzoyl]amino]acetic acid
名称と別名
6937-19-5NSC402652,2'-((4,4'-(((1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-diyl)bis(methanylylidene))bis(azanylylidene))bis(benzoyl))bis(azanediyl))diacetic acidNSC 40265NSC-40265{4-[(8'-{[4-(Carboxymethyl-carbamoyl)-phenylimino]-methyl}-1,6,7,1',6',7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-8-ylmethylene)-amino]-benzoylamino}-acetic acid2-[[4-[(E)-[7-[8-[(E)-[4-(carboxymethylcarbamoyl)phenyl]iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-1-naphthyl]methyleneamino]benzoyl]amino]acetic acid2,2'-((4,4'-(((1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-diyl)bis(methanylylidene))bis(azanylylidene))bis(benzoyl))bis(azanediyl))diaceticacidGlycine, N,N'-((1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)(2,2'-binaphthalene)-8,8'-diyl)bis(methylidynenitrilo-4,1-phenylenecarbonyl))bis-Hippuric acid, 4,4'-((1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl(2,2'-binaphthalene)-8,8'-diyl)bis(methylidynenitrilo))di-
物性
構造計算による物性
- XLogP
- 7.2
- 極性表面積
- 279 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 14
- 回転可能結合数
- 13
- 重原子数
- 64
- 形式電荷
- 0
- 複雑度
- 1,560
関連反応
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