Hydroxypepstatin
기본 정보
- CAS
52329-53-0- 표준 SMILES
CC(C)CC(=O)N[C@H](C(=O)CC(C)[C@H](N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CO)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)O)C(N)=O)C(C)C- InChIKey
RDGABBULIYLDER-NWCZBACYSA-N- 분자식
- C34H63N5O10
- 평균 분자량
- 701.9 g/mol
- 단동위원소 질량
- 701.45749322
개요
(3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S,6S)-1-amino-3,7-dimethyl-6-(3-methylbutanoylamino)-1,5-dioxooctan-2-yl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxy-6-methylheptanoic acid has been reported in Streptomyces with data available.
이름 및 식별자
- 우선 이름
- Hydroxypepstatin
- IUPAC
- (3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S,6S)-1-amino-3,7-dimethyl-6-(3-methylbutanoylamino)-1,5-dioxooctan-2-yl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxy-6-methylheptanoic acid
- 영어명
- Hydroxypepstatin
- 분자식
- C34H63N5O10
- 분자량
- 701.9
이름 및 동의어
Hydroxypepstatin52329-53-0RefChem:923162(3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S,6S)-1-amino-3,7-dimethyl-6-(3-methylbutanoylamino)-1,5-dioxooctan-2-yl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxy-6-methylheptanoic acidL-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(4-((2-((1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl)amino)-1-(hydroxymethyl)-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*(R*(R*)))))-DTXSID10966709(3S,7S,11S,12S,14S,18S)-3,6,9,11,20-Pentahydroxy-14-[hydroxy(imino)methyl]-7-(hydroxymethyl)-15,22-dimethyl-4,12-bis(2-methylpropyl)-17-oxo-18-(propan-2-yl)-5,8,13,19-tetraazatricosa-5,8,19-trien-1-oic acid3,6,9,11,20-Pentahydroxy-14-[hydroxy(imino)methyl]-7-(hydroxymethyl)-15,22-dimethyl-4,12-bis(2-methylpropyl)-17-oxo-18-(propan-2-yl)-5,8,13,19-tetraazatricosa-5,8,19-trien-1-oic acidL-Serinamide, N-(3-methyl-1-oxobutyl)-L-valyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-N-[(1S)-1-[(1S)-2-carboxy-1-hydroxyethyl]-3-methylbutyl]-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 257 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 25
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 끓는 점
- 1037 · 1037.0±65.0 °C(Predicted)
- 밀도
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.17 · 4.17±0.10(Predicted)
관련 반응
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