기본 정보
- CAS
156616-24-9- 표준 SMILES
C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1C(Cc1ccccc1)C(=O)CCl- InChIKey
LLZHCFIJOPMUTQ-KUORQNNRSA-N- 분자식
- C25H33ClN4O7
- 평균 분자량
- 537 g/mol
- 단동위원소 질량
- 536.2037771
개요
inhibitor of nuclear scaffold protease (NS protease)
이름 및 식별자
- 우선 이름
- Succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketone
- IUPAC
- 4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-chloro-3-oxo-1-phenylbutan-2-yl)pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
- 현지명
- 숙시닐-알라닐알라닐-프롤릴-페닐알라닌클로로메틸케톤
- 영어명
- succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketone
- 분자식
- C25H33ClN4O7
- 분자량
- 537.01
이름 및 동의어
AapfcmkSuccinyl-aapf-cmk156616-24-9Succinyl-alanylalanyl-prolyl-phenylalanine chloromethylketoneSuccinyl-aapf-chloromethylketonesuccinyl-Ala-Ala-Pro-Phe-chloromethylketoneRefChem:186366DTXSID80935487N-(3-Carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-L-prolinamide4-({1-[(1-{[1-(4-Chloro-3-oxo-1-phenylbutan-2-yl)prolyl]imino}-1-hydroxypropan-2-yl)imino]-1-hydroxypropan-2-yl}imino)-4-hydroxybutanoic acid4-{[(2S)-1-{[(2S)-1-{[1-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-L-prolyl]imino}-1-hydroxypropan-2-yl]imino}-1-hydroxypropan-2-yl]imino}-4-hydroxybutanoic acidL-Prolinamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-
이름 더 보기
숙시닐-알라닐알라닐-프롤릴-페닐알라닌클로로메틸케톤L-Prolinamide, N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]- (9CI)4-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-chloro-3-oxo-1-phenylbutan-2-yl)pyrrolidine-2-carbonyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 862
물리화학적 성질
- 끓는 점
- 916.471 · 916.471±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.311 · 1.311±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.691 · 4.691±0.10(predicted)
관련 반응
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