基本情報
- CAS
1115361-01-7- 標準SMILES
C[C@@H](CC(=O)NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O- InChIKey
NTTJVIQCCNYXRP-INIZCTEOSA-N- 分子式
- C24H22N2O5
- 平均分子量
- 418.4 g/mol
- 単同位体質量
- 418.15287181
概要
Nygerone A is a member of the class of 4-pyridones that is nigerone B in which the nitrogen of the carboxamide has been acylated by a (3S)-3-carboxybutanoyl group. It has been isolated from Aspergillus niger ATCC 1015. It has a role as an Aspergillus metabolite. It is a member of 4-pyridones, a monocarboxylic acid, a dicarboximide and a biaryl. It is functionally related to a nygerone B.
名称と識別子
- 優先名称
- Nygerone A
- IUPAC
- (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid
名称と別名
Nygerone ACHEBI:69408(2S)-4-((6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino)-2-methyl-4-oxobutanoic acid(2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acidRefChem:927997CHEMBL1910765DTXSID7011090041115361-01-7Q27137748(2S)-4-[[[1,4-Dihydro-4-oxo-1-phenyl-6-(phenylmethyl)-3-pyridinyl]carbonyl]amino]-2-methyl-4-oxobutanoic acid(2S)-4-{[(6-benzyl-4-oxo-1-phenyl-1,4-dihydropyridin-3-yl)carbonyl]amino}-2-methyl-4-oxobutanoic acid
データベース識別子
- CAS
1115361-01-7- PubChem CID
- 25209072
- DTXSID
DTXSID701109004- ChEMBL
CHEMBL1910765- ChEBI
CHEBI:69408- Nikkaji
- J2.698.153K
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 104 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 773
関連反応
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