기본 정보
- 표준 SMILES
C[C@@H](O[C@H]1CC[C@@H](CN2CCC[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
FBAFMVCJABJZQO-LDWUQXNOSA-N- 분자식
- C28H30F7NO3
- 평균 분자량
- 561.5 g/mol
이름 및 식별자
- 우선 이름
- 1-[[2alpha-(4-Fluorophenyl)-3beta-[[(R)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl]oxy]cyclopentane-1beta-yl]methyl]piperidine-3alpha-carboxylic acid
- IUPAC
- (3R)-1-[[(1R,2R,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]methyl]piperidine-3-carboxylic acid
이름 및 동의어
SCHEMBL52153111-[[2alpha-(4-Fluorophenyl)-3beta-[[(R)-alpha-methyl-3,5-bis(trifluoromethyl)benzyl]oxy]cyclopentane-1beta-yl]methyl]piperidine-3alpha-carboxylic acid1-(s)-(1-(r)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(r)-(4-fluorophenyl)-3-(r)-(((r)-3-carboxypiperidin-1-yl)methyl)-cyclopentane1-(S)-(1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-2-(R)-(4-fluorophenyl)-3-(R)-(((R)-3-carboxypiperidin-1-yl)methyl)cyclopentane
데이터베이스 식별자
- PubChem CID
- 11599366
- Nikkaji
- J2.384.566K
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 792
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