1-{[1-[2-(Bicyclo[3.1.0]hex-3-yloxycarbonylamino)-3,3-dimethyl-butyryl]-4-(4-bromobenzenesulfonyloxy)pyrrolidine-2-carbonyl]amino}-2-ethyl-cyclopropanecarboxylic acid methyl ester
기본 정보
- 표준 SMILES
CCC1CC1(NC(=O)C1CC(OS(=O)(=O)c2ccc(Br)cc2)CN1C(=O)C(NC(=O)OC1CC2CC2C1)C(C)(C)C)C(=O)OC- InChIKey
XRNSGRGZGPHDAZ-UHFFFAOYSA-N- 분자식
- C31H42BrN3O9S
- 평균 분자량
- 712.7 g/mol
이름 및 식별자
- 우선 이름
- 1-{[1-[2-(Bicyclo[3.1.0]hex-3-yloxycarbonylamino)-3,3-dimethyl-butyryl]-4-(4-bromobenzenesulfonyloxy)pyrrolidine-2-carbonyl]amino}-2-ethyl-cyclopropanecarboxylic acid methyl ester
- IUPAC
- methyl 1-[[1-[2-(3-bicyclo[3.1.0]hexanyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(4-bromophenyl)sulfonyloxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylate
이름 및 동의어
SCHEMBL3372472XRNSGRGZGPHDAZ-UHFFFAOYSA-N1-{[1-[2-(bicyclo[3.1.0]hex-3-yloxycarbonylamino)-3,3-dimethyl-butyryl]-4-(4-bromobenzenesulfonyloxy)pyrrolidine-2-carbonyl]amino}-2-ethyl-cyclopropanecarboxylic acid methyl ester1-{[1-[2-(bicyclo[3.1.0]hex-3-yloxycarbonylamino)-3,3-dimethylbutyryl]-4-(4-bromobenzenesulfonyloxy)-pyrrolidine-2-carbonyl]-amino}-2-ethylcyclopropanecarboxylic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 76605050
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,270
관련 반응
5건
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