基本情報
- CAS
197791-88-1- 標準SMILES
CC(C)CC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)C(C)C- InChIKey
ZFUIXKUZSFLVKA-GNEWFCMESA-N- 分子式
- C26H36N2O9
- 平均分子量
- 520.6 g/mol
- 単同位体質量
- 520.24208073
概要
Antimycin A7a is an amidobenzoic acid.
名称と識別子
- 優先名称
- Antimycin A7a
- IUPAC
- [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
名称と別名
Antimycin A7aUNII-DPA68O75PFDPA68O75PF197791-88-1Propanoic acid, 2-methyl-, (2R,3S,6S,7R,8R)-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-7-yl esterPropanoic acid, 2-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-((2R,3S,6S,7R,8R)-3-((3-formamido-2-hydroxybenzoyl)amino)-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-7-yl) 2-methylpropanoate[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoateN-((2R,3S,6S,7R,8R)-2,6-Dimethyl-8-(3-methylbutyl)-7-((2-methylpropanoyl)oxy)-4,9-dioxo-1,5-dioxonan-3-yl)-2-hydroxy-3-((hydroxymethylidene)amino)benzene-1-carboximidateN-[(2R,3S,6S,7R,8R)-2,6-Dimethyl-8-(3-methylbutyl)-7-[(2-methylpropanoyl)oxy]-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzene-1-carboximidateRefChem:113222CHEBI:202577
名称をさらに表示
Q27276520[(2R,3S,6S,7R,8R)-3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-8-(3-methylbutyl)-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
物性
構造計算による物性
- XLogP
- 4.3
- 極性表面積
- 157 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 9
- 回転可能結合数
- 9
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 831
関連反応
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