2-[2-[2-(1-Carboxy-2-methylpropylcarbamoyl) phenyldisulfanyl]benzoylamino]-3-methylbutanoic acid

HCID 465364

基本情報

標準SMILES
CC(C)C(NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(C(=O)O)C(C)C)C(=O)O
InChIKey
SSVXRJKOBFCRAX-UHFFFAOYSA-N
分子式
C24H28N2O6S2
平均分子量
504.6 g/mol

名称と識別子

優先名称
2-[2-[2-(1-Carboxy-2-methylpropylcarbamoyl) phenyldisulfanyl]benzoylamino]-3-methylbutanoic acid
IUPAC
2-[[2-[[2-[(1-carboxy-2-methylpropyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methylbutanoic acid

名称と別名

SCHEMBL7016329SSVXRJKOBFCRAX-UHFFFAOYSA-N2-[(1-{2-[2-(1-Carboxy-2-methyl-propylcarbamoyl)-phenyldisulfanyl]-phenyl}-methanoyl)-amino]-3-methyl-butyric acid2-[[2-[[2-[(1-carboxy-2-methyl-propyl)carbamoyl]phenyl]disulfanyl]benzoyl]amino]-3-methyl-butanoic acid2-[2-[2-(1-Carboxy-2-methylpropylcarbamoyl) phenyldisulfanyl]benzoylamino]-3-methylbutanoic acid2-[2-[2-(1-Carboxy-2-methylpropylcarbamoyl)-phenyldisulfanyl]benzoylamino]-3-methylbutanoic acid

データベース識別子

PubChem CID
465364

物性

構造計算による物性

XLogP
4.5
極性表面積
183 Ų
水素結合供与体数
4
水素結合受容体数
8
回転可能結合数
11
重原子数
34

関連反応

6 件

化合物ノート

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