기본 정보
- CAS
129252-79-5- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
SSDHDCHQNPWZLQ-DNOAQWIPSA-N- 분자식
- C40H54N4O5
- 평균 분자량
- 670.9 g/mol
- 단동위원소 질량
- 670.40942084
이름 및 식별자
- 우선 이름
- L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-
- IUPAC
- (2R,4S,5S)-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-6-phenylhexanamide
이름 및 동의어
tBu-CH2C(O)-CH2Ph-Leu-Phe-NH2129252-79-5L-Phenylalaninamide, N-(5-((3,3-dimethyl-1-oxobutyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-6-Phenyl-5-neopentylamido-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanoneL-Phenylalaninamide, N-[5-[(3,3-dimethyl-1-oxobutyl)amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]-L-leucyl-, [2R-(2R*,4S*,5S*)]-Hydroxyethylene deriv. 3BDBM752CHEMBL3143353DTXSID50156127(2R,4S,5S)-2-benzyl-N-[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]-5-(3,3-dimethylbutanamido)-4-hydroxy-6-phenylhexanamide(2R,4S,5S)-N-[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]-2-benzyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-6-phenyl-hexanamideN-[(2R,4S,5S)-2-Benzyl-5-(3,3-dimethylbutanamido)-4-hydroxy-6-phenylhexanoyl]-L-leucyl-L-phenylalaninamide
데이터베이스 식별자
- CAS
129252-79-5- PubChem CID
- 5479250
- DTXSID
DTXSID50156127- ChEMBL
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,020
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