기본 정보
- 표준 SMILES
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](CS[C@H]2CCN(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1- InChIKey
GWUMFTHFCGYTQK-IARZGTGTSA-N- 분자식
- C31H42N4O9SSi
- 평균 분자량
- 674.8 g/mol
이름 및 식별자
- 우선 이름
- (2S,4R)-4-t-butyldimethylsilyloxy-1-(4-nitrobenzyloxycarbonyl)-2-[{(3S)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-3-ylthio}methyl]pyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[(3S)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanylmethyl]pyrrolidine-1-carboxylate
이름 및 동의어
SCHEMBL9520871GWUMFTHFCGYTQK-IARZGTGTSA-N(2S, 4R)-4-t-butyldimethylsilyloxy-1-(4 -nitrobenzyloxycarbonyl)-2-[{(3S)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-3-ylthio}methyl]pyrrolidine(2S, 4R)-4-t-butyldimethylsilyloxy-1-(4-nitrobenzyloxycarbonyl)-2-[{(3S)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-3-ylthio}methyl]pyrrolidine(2S,4R)-4-t-butyldimethylsilyloxy-1-(4-nitrobenzyloxycarbonyl)-2 -[{(3S)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-3-ylthio}methyl]pyrrolidine(2S,4R)-4-t-butyldimethylsilyloxy-1-(4-nitrobenzyloxycarbonyl)-2-[{(3S)-1-(4-nitrobenzyloxycarbonyl)pyrrolidin-3-ylthio}methyl]pyrrolidine
데이터베이스 식별자
- PubChem CID
- 57062828
물성
구조 계산 물성
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,070
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4건
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