(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methoxy-4-phenoxy-phenyl)pentanamide
기본 정보
- CAS
181869-03-4- 표준 SMILES
COc1cc(Oc2ccccc2)ccc1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1c2ccccc2C[C@H]1O- InChIKey
DZZREZWCXMMECK-SZRBNQSRSA-N- 분자식
- C34H35NO5
- 평균 분자량
- 537.6 g/mol
- 단동위원소 질량
- 537.25152322
이름 및 식별자
- 우선 이름
- (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methoxy-4-phenoxy-phenyl)pentanamide
- IUPAC
- (2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methoxy-4-phenoxyphenyl)pentanamide
이름 및 동의어
181869-03-4DTXSID60939488(2R,4S)-2-benzyl-4-hydroxy-N-[(2R)-2-hydroxyindan-1-yl]-5-(2-methoxy-4-phenoxy-phenyl)pentanamideBenzenepentanamide, N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-gamma-hydroxy-2-methoxy-4-phenoxy-alpha-(phenylmethyl)-, (1S-(1a(aS*,gR*),2a))-(2R,4S)-2-Benzyl-4-hydroxy-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methoxy-4-phenoxyphenyl)pentanimidic acid2-Benzyl-4-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-(2-methoxy-4-phenoxyphenyl)pentanimidic acidBenzenepentanamide, N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-.gamma.-hydroxy-2-methoxy-4-phenoxy-.alpha.-(phenylmethyl)-, [1S-[1a(aS*,gR*),2a]]-
데이터베이스 식별자
- CAS
181869-03-4- PubChem CID
- 5480791
- DTXSID
DTXSID60939488
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 765
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