기본 정보
- CAS
128901-55-3- 표준 SMILES
COC(=O)[C@H](Cc1ccccc1)OP(=O)(O)[C@H](CC(C)C)N[C@@H](C)C(=O)NC(=O)[C@H](C)NC(=O)OCc1ccccc1- InChIKey
HLJZNCINMYDAOE-WIHVIGOGSA-N- 분자식
- C29H40N3O9P
- 평균 분자량
- 605.6 g/mol
- 단동위원소 질량
- 605.25021686
개요
inhibitor of aspartyl proteinases designed to be structural mimic of the tetrahedral transition-state imtermediate encountered during aspartic proteinase catalysis
이름 및 식별자
- 우선 이름
- Benzyloxycarbonylalanyl-alanyl-leucyl phosphinate-3-phenyllactic acid methyl ester
- IUPAC
- [(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1R)-3-methyl-1-[[(2S)-1-oxo-1-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propan-2-yl]amino]butyl]phosphinic acid
- 현지명
- 벤질옥시카르보닐알라닐-알라닐-류실포스피네이트-3-페닐락트산메틸에스테르
- 영어명
- benzyloxycarbonylalanyl-alanyl-leucyl phosphinate-3-phenyllactic acid methyl ester
- 분자식
- C29H40N3O9P
- 분자량
- 605.62
이름 및 동의어
Cbzaal(P)(O)fome128901-55-3Benzyloxycarbonylalanyl-alanyl-leucyl phosphinate-3-phenyllactic acid methyl esterCbz-ala-ala-leu(P)-(O)-phe-omeRefChem:118971[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]oxy-[(1R)-3-methyl-1-[[(2S)-1-oxo-1-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propan-2-yl]amino]butyl]phosphinic acidDTXSID80926234(4S,7R,9S)-4-Benzyl-N-{N-[(benzyloxy)(hydroxy)methylidene]-L-alanyl}-6-hydroxy-9-methyl-7-(2-methylpropyl)-3,6-dioxo-2,5-dioxa-8-aza-6lambda~5~-phosphadecan-10-imidic acid(R-(R*,S*))-N-((Phenylmethoxy)carbonyl)-L-alanyl-N-(1-(hydroxy(2-methoxy-2-oxo-1-(phenylmethyl)ethoxy)phosphinyl)-3-methylbutyl)-L-alaninamide4-Benzyl-N-{N-[(benzyloxy)(hydroxy)methylidene]alanyl}-6-hydroxy-9-methyl-7-(2-methylpropyl)-3,6-dioxo-2,5-dioxa-8-aza-6lambda~5~-phosphadecan-10-imidic acidL-Alaninamide, N-((phenylmethoxy)carbonyl)-L-alanyl-N-(1-(hydroxy(2-methoxy-2-oxo-1-(phenylmethyl)ethoxy)phosphinyl)-3-methylbutyl)-, (R-(R*,S*))-벤질옥시카르보닐알라닐-알라닐-류실포스피네이트-3-페닐락트산메틸에스테르
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 169 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 935
물리화학적 성질
- 밀도
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.58 · 2.58±0.10(Predicted)
화학 및 산업
공급사1 곳
CHEMICAL LAND21[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…