기본 정보
- CAS
150608-41-6- 표준 SMILES
COc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C(C)C)cc1- InChIKey
DZUIFTBFVIXAMZ-YHKVADFHSA-N- 분자식
- C43H58N4O8
- 평균 분자량
- 758.9 g/mol
- 단동위원소 질량
- 758.42546482
개요
an HIV-1 protease inhibitor; RN given for (1S-(1R*,2R*,4S*,5(R*(R*))))-isomer; structure in first source
이름 및 식별자
- 우선 이름
- Cgp 57813
- IUPAC
- tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methyl]-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 57813
- 분자식
- C43H58N4O8
- 분자량
- 758.94
이름 및 동의어
Cgp 57813150608-41-6Cgp-57813RefChem:124807tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-[(4-methoxyphenyl)methyl]-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]carbamateCarbamic acid, (2-hydroxy-4-((4-methoxyphenyl)methyl)-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-tert-Butyl ((2S,3S,5R)-3-hydroxy-5-(4-methoxybenzyl)-6-(((S)-3-methyl-1-(((S)-1-morpholino-1-oxo-3-phenylpropan-2-yl)amino)-1-oxobutan-2-yl)amino)-6-oxo-1-phenylhexan-2-yl)carbamateorb1697876SCHEMBL14364747DTXSID20934010AKOS040751114Phe-C-Phe-Val-Phe-Morph-CONH2 deriv.
이름 더 보기
Morpholine, 4-[N-[(2R,4S,5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-2-[(4-methoxyphenyl)methyl]-1-oxo-6-phenylhexyl]-L-valyl-L-phenylalanyl]-
HY-129563T30841(1S-(1R*,2R*,4S*,5(R*(R*))))-1,1-Dimethylethyl (2-hydroxy-4-((4-methoxyphenyl)methyl)-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)carbamate(2R,4S,5S)-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]-2-[(4-methoxyphenyl)methyl]-6-phenylhexanimidic acid5-{[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)-2-[(4-methoxyphenyl)methyl]-6-phenylhexanimidic acidCarbamic acid, [(1S,2S,4R)-2-hydroxy-4-[(4-methoxyphenyl)methyl]-5-[[(1S)-2-methyl-1-[[[(1S)-2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]propyl]amino]-5-oxo-1-(phenylmethyl)pentyl]-, 1,1-dimethylethylestertert-butyl N-[(1S,2S,4R)-1-benzyl-5-[[(1S)-1-[[(1S)-1-benzyl-2-morpholino-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxo-pentyl]carbamate
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,180
화학 및 산업
공급사4 곳
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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