(S)-3-(1-(4'-Cyano-[1,1'-biphenyl]-4-yl)-1H-pyrrol-3-yl)-4-(((S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl)amino)-4-oxobutanoic acid
기본 정보
- 표준 SMILES
CC1(C)COC(=O)[C@H]1NC(=O)[C@@H](CC(=O)O)c1ccn(-c2ccc(-c3ccc(C#N)cc3)cc2)c1- InChIKey
GYKMAWIYKPLMGN-LADGPHEKSA-N- 분자식
- C27H25N3O5
- 평균 분자량
- 471.5 g/mol
- 단동위원소 질량
- 471.17942091
이름 및 식별자
- 우선 이름
- (S)-3-(1-(4'-Cyano-[1,1'-biphenyl]-4-yl)-1H-pyrrol-3-yl)-4-(((S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl)amino)-4-oxobutanoic acid
- IUPAC
- (3S)-3-[1-[4-(4-cyanophenyl)phenyl]pyrrol-3-yl]-4-[[(3S)-4,4-dimethyl-2-oxooxolan-3-yl]amino]-4-oxobutanoic acid
이름 및 동의어
207118-71-6(S)-3-(1-(4'-Cyano-[1,1'-biphenyl]-4-yl)-1H-pyrrol-3-yl)-4-(((S)-4,4-dimethyl-2-oxotetrahydrofuran-3-yl)amino)-4-oxobutanoic acidSCHEMBL7457851GYKMAWIYKPLMGN-LADGPHEKSA-NPD1288353(S)-[1-(4'-cyanobiphenyl-4-yl)-1H-pyrrol-3-yl]-N-(4, 4-dimethyl-2-oxo-tetrahydrofuran-3(S)-yl)succinamic acid3(S)-[1-(4'-cyanobiphenyl-4-yl)-1H-pyrrol-3-yl]-N-(4,4-dimethyl-2-oxo-tetrahydrofuran-3(S)-yl)succinamic acid
데이터베이스 식별자
- PubChem CID
- 9804811
- Nikkaji
- J1.988.847I
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 848
관련 반응
4건
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