基本情報
- CAS
28068-15-7- 標準SMILES
CCCCCC[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
KHLDVDGEVBRYTL-JABWOZRQSA-N- 分子式
- C27H38N2O9
- 平均分子量
- 534.6 g/mol
- 単同位体質量
- 534.25773079
概要
antimycin A2a has been reported in Streptomyces argillaceus with data available.
名称と識別子
- 優先名称
- Antimycin A2a
- IUPAC
- [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
名称と別名
Antimycin A2aUNII-745M0KNN2Y745M0KNN2Y28068-15-7Propanoic acid, 2-methyl-, 8-((3-(formylamino)-2-hydroxybenzoyl)amino)-5-hexyl-2,7-dimethyl-5,9-dioxo-1,5-dioxonan-3-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-Salicylamide, 3-formamido-N-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-, 8-isobutyrate[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoatePROPANOIC ACID, 2-METHYL-, (2R,3S,6S,7R,8R)-3-((3-(FORMYLAMINO)-2-HYDROXYBENZOYL)AMINO)-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL ESTER((2R,3S,6S,7R,8R)-3-((3-formamido-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl) 2-methylpropanoateRefChem:113217CHEMBL4287406[(2r,3s,6s,7r,8r)-3-[(3-Formamido-2-Oxidanyl-Phenyl)carbonylamino]-8-Hexyl-2,6-Dimethyl-4,9-Bis(Oxidanylidene)-1,5-Dioxonan-7-Yl] 2-Methylpropanoate
名称をさらに表示
DTXSID601356898BDBM50469150AY1Q27266249(2R,3S,6S,7R,8R)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate (non-preferred name)
物性
構造計算による物性
- XLogP
- 5.1
- 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
- 11
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 833
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