(S)-4-methyl-2-[2-oxo-4-(3-trifluoromethyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid [1-((R)-2,2-dimethyl[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amide
기본 정보
- 표준 SMILES
CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H]2COC(C)(C)O2)n1)N1CC(Oc2cccc(C(F)(F)F)c2)=CC1=O- InChIKey
CDTXZRPPOKPERS-RTWAWAEBSA-N- 분자식
- C26H31F3N4O5
- 평균 분자량
- 536.5 g/mol
- 단동위원소 질량
- 536.22465459
이름 및 식별자
- 우선 이름
- (S)-4-methyl-2-[2-oxo-4-(3-trifluoromethyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid [1-((R)-2,2-dimethyl[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amide
- IUPAC
- (2S)-N-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-3-yl]-4-methyl-2-[5-oxo-3-[3-(trifluoromethyl)phenoxy]-2H-pyrrol-1-yl]pentanamide
이름 및 동의어
(S)-4-methyl-2-[2-oxo-4-(3-trifluoromethyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid [1-((R)-2,2-dimethyl[1,3]dioxolan-4-yl-methyl)-1H-pyrazol-3-yl]-amideSCHEMBL1080098(s)-4-methyl-2-[2-oxo-4-(3-trifluoromethyl-phenoxy)-2,5-dihydro-pyrrol-1-yl]-pentanoic acid [1-((r)-2,2-dimethyl-[1,3]dioxolan-4-yl-methyl)-1h-pyrazol-3-yl]-amide
데이터베이스 식별자
- PubChem CID
- 66899242
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 94.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 897
관련 반응
2건
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