기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)O- InChIKey
VOKBAUWCJDGAOW-KRWDZBQOSA-N- 분자식
- C20H22ClNO4
- 평균 분자량
- 375.8 g/mol
이름 및 식별자
- 우선 이름
- (S)-2-(Tert-butoxycarbonylamino)-3-(3'-chlorobiphenyl-4-yl)propanoic acid
- IUPAC
- (2S)-3-[4-(3-chlorophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
이름 및 동의어
1282042-79-8(S)-2-(Tert-butoxycarbonylamino)-3-(3'-chlorobiphenyl-4-yl)propanoic acid(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid[1,1'-Biphenyl]-4-propanoic acid, 3'-chloro-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-(S)-2-((tert-butoxycarbonyl)amino)-3-(3'-chloro-[1,1'-biphenyl]-4-yl)propanoic acidSCHEMBL1768317VOKBAUWCJDGAOW-KRWDZBQOSA-NMFCD29917526N-Boc-4-(3-chlorophenyl)-L-phenylalanineF80814A1-29381(S)-2-tert-butoxycarbonylamino-3-(3'-chloro-biphenyl-4-yl)-propionic acid
이름 더 보기
(2S)-2-(tert-butoxycarbonylamino)-3-[4-(3-chlorophenyl)phenyl]propanoic acid[1,1'-Biphenyl]-4-propanoic acid, 3'-chloro-?-[[(1,1-dimethylethoxy)carbonyl]amino]-, (?S)-[1,1'-Biphenyl]-4-propanoic acid, 3'-chloro-|A-[[(1,1-dimethylethoxy)carbonyl]amino]-, (|AS)-
데이터베이스 식별자
- PubChem CID
- 58280562
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 483
관련 반응
12건
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