기본 정보
- CAS
38752-31-7- 표준 SMILES
CC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)N[C@H](C(=O)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C- InChIKey
NUHDIOGRBNJHLE-XVSMXDSJSA-N- 분자식
- C33H61N5O7
- 평균 분자량
- 639.9 g/mol
- 단동위원소 질량
- 639.4570993
개요
Pepstanone A has been reported in Streptomyces with data available.
이름 및 식별자
- 우선 이름
- Pepstanone A
- IUPAC
- 3-hydroxy-6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]-N-[1-[(5-methyl-2-oxohexan-3-yl)amino]-1-oxopropan-2-yl]heptanamide
- 영어명
- L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-[4-[[2-[(1-acetyl-3-methylbutyl)amino]-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]- (9CI)
- 분자식
- C33H61N5O7
- 분자량
- 639.87
이름 및 동의어
38752-31-7DTXSID601920313-hydroxy-6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]-N-[1-[(5-methyl-2-oxohexan-3-yl)amino]-1-oxopropan-2-yl]heptanamide3-hydroxy-6-methyl-4-(((2S)-3-methyl-1-(((2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl)amino)-1-oxobutan-2-yl)amino)-N-(1-((5-methyl-2-oxohexan-3-yl)amino)-1-oxopropan-2-yl)heptanamideRefChem:928809DTXCID70114522Pepstanone AL-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(4-((2-((1-acetyl-3-methylbutyl)amino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-SCHEMBL29884988(9S,13S)-6-Hydroxy-2,17-dimethyl-N-(5-methyl-2-oxohexan-3-yl)-7-(2-methylpropyl)-4,10,12,15-tetraoxo-9,13-di(propan-2-yl)-3,8,11,14-tetraazaoctadecan-1-amideL-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-[4-[[2-[(1-acetyl-3-methylbutyl)amino]-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]- (9CI)
데이터베이스 식별자
- CAS
38752-31-7
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 183 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 996
물리화학적 성질
- 끓는 점
- 915.3 · 915.3±65.0 °C(Predicted)
- 밀도
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.43 · 13.43±0.46(Predicted)
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