Rac-(2r,3r,4r,5s)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid((s)-3,4-dihydroxy-butyl)-amide

HCID 86642680
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기본 정보

표준 SMILES
CC(C)(C)CC1NC(C(=O)NCC[C@H](O)CO)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1
InChIKey
ZSZGGSIFAMXPIG-BZRDRUONSA-N
분자식
C27H33Cl2N3O3
평균 분자량
518.5 g/mol
단동위원소 질량
517.1898973

이름 및 식별자

우선 이름
Rac-(2r,3r,4r,5s)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid((s)-3,4-dihydroxy-butyl)-amide
IUPAC
3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3S)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide

이름 및 동의어

ZSZGGSIFAMXPIG-BZRDRUONSA-Nrac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amiderac-(2r,3r,4r,5s)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid((s)-3,4-dihydroxy-butyl)-amide

데이터베이스 식별자

PubChem CID
86642680

물성

구조 계산 물성

XLogP
4.4
극성 표면적
105 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
5
회전 가능 결합 수
9
무거운 원자 수
35

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