벤질옥시카르보닐알라닐-알라닐-프롤릴-발린-트리플루오로메틸케톤
Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone
기본 정보
- CAS
110407-54-0- 표준 SMILES
CC(C)C(C(=O)C(F)(F)F)N1CCC[C@H]1C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1- InChIKey
JWABUPSOVGPTKA-KUORQNNRSA-N- 분자식
- C25H33F3N4O6
- 평균 분자량
- 542.5 g/mol
- 단동위원소 질량
- 542.23521927
개요
leukocyte elastase inhibitor
이름 및 식별자
- 우선 이름
- Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone
- IUPAC
- benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]carbamate
- 현지명
- 벤질옥시카르보닐알라닐-알라닐-프롤릴-발린-트리플루오로메틸케톤
- 영어명
- benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketone
- 분자식
- C25H33F3N4O6
- 분자량
- 542.55
이름 및 동의어
CAAPV110407-54-0Benzyloxycarbonylalanyl-alanyl-prolyl-valine-trifluoromethyl ketoneCbz-ala-ala-pro-ambo-val-CF3RefChem:118974L-Prolinamide, N-((phenylmethoxy)carbonyl)-L-alanyl-L-alanyl-N-(2-methyl-1-(trifluoroacetyl)propyl)-benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]propan-2-yl]amino]propan-2-yl]carbamateDTXSID30911670(2S)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-[(2S)-1-hydroxy-1-{[1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)-L-prolyl]imino}propan-2-yl]propanimidic acid2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(1-hydroxy-1-{[1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)prolyl]imino}propan-2-yl)propanimidic acid벤질옥시카르보닐알라닐-알라닐-프롤릴-발린-트리플루오로메틸케톤L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-L-alanyl-N-[2-methyl-1-(trifluoroacetyl)propyl]- (9CI)
데이터베이스 식별자
- CAS
110407-54-0
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 876
물리화학적 성질
- 끓는 점
- 757.6 · 757.6±60.0 °C(Predicted)
- 밀도
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.15 · 11.15±0.46(Predicted)
관련 반응
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