(S)-tert-Butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate
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기본 정보
- CAS
1268524-65-7- 표준 SMILES
Cc1sc(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)c2ccc(Cl)cc2)c1C- InChIKey
SIWIRSIBDRMDFY-LJAQVGFWSA-N- 분자식
- C36H35ClN2O6S
- 평균 분자량
- 659.2 g/mol
- 단동위원소 질량
- 658.1904357
이름 및 식별자
- 우선 이름
- (S)-tert-Butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate
- IUPAC
- tert-butyl (3S)-4-[[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]amino]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
- 영어명
- Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-
- 분자식
- C36H35ClN2O6S
- 분자량
- 659.19
이름 및 동의어
1268524-65-7(S)-tert-Butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate(S)-tert-Butyl 3-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)-4-[[3-(4-chlorobenzoyl)-4,5-dimethylthien-2-yl]amino]-4-oxobutanoate(S)-tert-butyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-{[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]amino}-4-oxobutanoateSCHEMBL15106634AC9361MFCD25977226SY263102DB-200610CS-0006954(S)-tBu 3-N-Fmoc-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate(S)-tert-Butyl3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-((3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl)amino)-4-oxobutanoate
이름 더 보기
SIWIRSIBDRMDFY-LJAQVGFWSA-NButanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carButanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-
물성
구조 계산 물성보충 중
- XLogP
- 8.1
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 끓는 점
- 834.5 · 834.5±65.0 °C(Predicted)
- 밀도
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10 · 10.00±0.46(Predicted)
화학 및 산업
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