rac-(2S,3R,4S)-4-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluor O-phenyl)-3-cyano-2-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide (HCID 86652461)

기본 정보

표준 SMILES: CC(C)(C)CC1N(C(=O)NCC[C@H](O)CO)CC(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
InChIKey: ATVVCMUBAKAFGU-RNHHAJMHSA-N
분자식: C27H31Cl2F2N3O3
평균 분자량: 554.5 g/mol

이름 및 식별자

우선 이름: rac-(2S,3R,4S)-4-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluor O-phenyl)-3-cyano-2-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide
IUPAC: 4-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-N-[(3S)-3,4-dihydroxybutyl]-2-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide

이름 및 동의어

ATVVCMUBAKAFGU-RNHHAJMHSA-Nrac-(2S,3R,4S)-4-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluor O-phenyl)-3-cyano-2-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amiderac-(2S,3R,4S)-4-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-3-cyano-2-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide

데이터베이스 식별자

PubChem CID: 86652461

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 96.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 837

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