기본 정보
- CAS
126380-76-5- 표준 SMILES
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(C)C)C(C)C- InChIKey
UCDZIDGCTSCJGC-JYMVAVOGSA-N- 분자식
- C32H52N6O9
- 평균 분자량
- 664.8 g/mol
- 단동위원소 질량
- 664.37957726
이름 및 식별자
- 우선 이름
- L-Valine, N-(N-(4-hydroxy-1-oxo-6-phenyl-5-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)hexyl)-L-valyl)-, methyl ester, (S-(R*,R*))-
- IUPAC
- methyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate
이름 및 동의어
SAA-II-VV-OMe126380-76-5CHEMBL297492L-Valine, N-(N-(4-hydroxy-1-oxo-6-phenyl-5-((N-(N-L-seryl-L-alanyl)-L-alanyl)amino)hexyl)-L-valyl)-, methyl ester, (S-(R*,R*))-L-Valine, N-[N-[4-hydroxy-1-oxo-6-phenyl-5-[[N-(N-L-seryl-L-alanyl)-L-alanyl]amino]hexyl]-L-valyl]-, methyl ester, [S-(R*,R*)]-DTXSID10155171BDBM50000695L-Seryl-L-alanyl-N-[(2S,3S)-3-hydroxy-6-{[(2S)-1-{[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]amino}-6-oxo-1-phenylhexan-2-yl]-L-alaninamidemethyl (2S)-2-[[(2S)-2-[[(4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-hydroxy-6-phenyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
데이터베이스 식별자
- CAS
126380-76-5- PubChem CID
- 451629
- DTXSID
DTXSID10155171- ChEMBL
CHEMBL297492
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 238 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,050
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…