기본 정보
- CAS
1115361-01-7- 표준 SMILES
C[C@@H](CC(=O)NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O- InChIKey
NTTJVIQCCNYXRP-INIZCTEOSA-N- 분자식
- C24H22N2O5
- 평균 분자량
- 418.4 g/mol
- 단동위원소 질량
- 418.15287181
개요
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.
이름 및 식별자
- 우선 이름
- Nygerone A
- IUPAC
- (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid
이름 및 동의어
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
데이터베이스 식별자
- CAS
1115361-01-7- PubChem CID
- 25209072
- DTXSID
DTXSID701109004- ChEMBL
CHEMBL1910765- ChEBI
CHEBI:69408- Nikkaji
- J2.698.153K
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 773
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