(2S,4R)-2-[2-(hydroxymethyl)thiazol-4-yl]-4-(methanesulfonyloxy)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
기본 정보
- 표준 SMILES
CS(=O)(=O)O[C@@H]1C[C@@H](c2csc(CO)n2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1- InChIKey
QMBKXVFSKNJKLQ-HIFRSBDPSA-N- 분자식
- C17H19N3O8S2
- 평균 분자량
- 457.5 g/mol
이름 및 식별자
- 우선 이름
- (2S,4R)-2-[2-(hydroxymethyl)thiazol-4-yl]-4-(methanesulfonyloxy)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2S,4R)-2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
이름 및 동의어
SCHEMBL9519204QMBKXVFSKNJKLQ-HIFRSBDPSA-N(2S, 4R)-2-[2-(hydroxymethyl) thiazol-4-yl]-4-(methanesulfonyloxy)-1-(4-nitrobenzyloxycarbonyl) pyrrolidine(2S, 4R)-2-[2-(hydroxymethyl)-thiazol-4-yl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxycarbonyl) pyrrolidine(2S,4R)-2-[2-(hydroxymethyl)thiazol-4-yl]-4-(methanesulfonyloxy)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine(2S,4R)-2-[2-(hydroxymethyl)thiazol-4-yl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxycarbonyl) -pyrrolidine(2S,4R)-2-[2-(hydroxymethyl)thiazol-4-yl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
데이터베이스 식별자
- PubChem CID
- 15077763
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 188 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 717
관련 반응
6건
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