Boc-Phe-psi(CH(OH)CH2)-Phe-Val-Phe-morpholine
기본 정보
- CAS
150736-68-8- 표준 SMILES
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1- InChIKey
NAJDZKGRZBLNON-HUIYFVCCSA-N- 분자식
- C42H56N4O7
- 평균 분자량
- 728.9 g/mol
- 단동위원소 질량
- 728.41490014
이름 및 식별자
- 우선 이름
- Boc-Phe-psi(CH(OH)CH2)-Phe-Val-Phe-morpholine
- IUPAC
- tert-butyl N-[(3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
- 영어명
- CGP 53437
- 분자식
- C42H56N4O7
- 분자량
- 728.925
이름 및 동의어
Boc-phenylalanylpsi(CH(OH)CH2)phenylalanyl-valyl-phenylalanyl-morpholine150736-68-8Boc-phepsi(CH(OH)CH2)phe-val-phe-morpholineCarbamic acid, (2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-RefChem:120842Boc-Phe-psi(CH(OH)CH2)-Phe-Val-Phe-morpholineDTXSID40934052(2R,4S)-2-Benzyl-5-{[tert-butoxy(hydroxy)methylidene]amino}-4-hydroxy-N-[(2S)-1-hydroxy-3-methyl-1-{[(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]imino}butan-2-yl]-6-phenylhexanimidic acid2-Benzyl-5-{[tert-butoxy(hydroxy)methylidene]amino}-4-hydroxy-N-(1-hydroxy-3-methyl-1-{[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]imino}butan-2-yl)-6-phenylhexanimidic acidCGP 53437Morpholine, 4-[N-[(2R,4S,5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]-L-valyl-L-phenylalanyl]-
데이터베이스 식별자
- CAS
150736-68-8- PubChem CID
- 5464453
- DTXSID
DTXSID40934052
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,130
물리화학적 성질
- 끓는 점
- 959.4 · 959.4±65.0 °C(Predicted)
- 밀도
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.09 · 12.09±0.46(Predicted)
관련 반응
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