Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-(methylthio)-alpha-(phenylmethyl)-, (aR,gS)-
기본 정보
- CAS
181869-06-7- 표준 SMILES
CSc1ccccc1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O- InChIKey
ZSYPGADQMCKYDM-WFUVGBLUSA-N- 분자식
- C28H31NO3S
- 평균 분자량
- 461.6 g/mol
- 단동위원소 질량
- 461.20246502
이름 및 식별자
- 우선 이름
- Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-(methylthio)-alpha-(phenylmethyl)-, (aR,gS)-
- IUPAC
- (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylsulfanylphenyl)pentanamide
이름 및 동의어
181869-06-7Benzenepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-(methylthio)-alpha-(phenylmethyl)-, (aR,gS)-Benzenepentanamide, N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-g-hydroxy-2-(methylthio)-a-(phenylmethyl)-, (1S-(1a(aS,gR),2a))-DTXSID90939491(2R,4S)-2-Benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-[2-(methylsulfanyl)phenyl]pentanimidic acid(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methylsulfanylphenyl)pentanamide2-Benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-[2-(methylsulfanyl)phenyl]pentanimidic acidBenzenepentanamide, N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-g-hydroxy-2-(methylthio)-a-(phenylmethyl)-, [1S-[1a(aS*,gR*),2a]]-Benzenepentanamide, N-[(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-.gamma.-hydroxy-2-(methylthio)-.alpha.-(phenylmethyl)-, (aR,gS)-
데이터베이스 식별자
- CAS
181869-06-7- PubChem CID
- 5480794
- DTXSID
DTXSID90939491
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 94.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 610
관련 반응
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