기본 정보
- CAS
165315-97-9- 표준 SMILES
CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1.Cl- InChIKey
VKNPCMHAKSWCGU-WDPGHHQZSA-N- 분자식
- C28H37ClN4O4S
- 평균 분자량
- 561.1 g/mol
- 단동위원소 질량
- 560.2224045
이름 및 식별자
- 우선 이름
- (2S,3S,5S)-5-(N-(Valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane Hydrochloride
- IUPAC
- 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate;hydrochloride
- 현지명
- [4-[(2-AMino-3-Methyl-1-oxobutyl)aMino]-2-hydroxy-5-phenyl-1-(phenylMethyl)펜틸]-카바믹산5-티아졸릴메틸에스테르모노염산염
- 영어명
- [4-[(2-AMino-3-Methyl-1-oxobutyl)aMino]-2-hydroxy-5-phenyl-1-(phenylMethyl) pentyl]-carbaMic Acid 5-ThiazolylMethyl Ester Monohydrochloride
- 분자식
- C28H36N4O4S.ClH
- 분자량
- 561.14
이름 및 동의어
(2S,3S,5S)-5-(N-(Valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane HydrochlorideWSM7H4WV2VSCHEMBL7181508VKNPCMHAKSWCGU-WDPGHHQZSA-NRitonavir impurity B (Monoacyl Valine) Hydrochloride(2S,3S,5S)-5-(N-(Valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6,diphenyl-3-hydroxyhexane Hydrochloride(2S,3S,5S)-5-(N-(Valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane HydrochlorideCarbamic acid, [4-[(2-amino-3-methyl-1-oxobutyl)amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester, monohydrochloride, [1S-[1R*,2R*,4R*(R*)]][4-[(2-AMino-3-Methyl-1-oxobutyl)aMino]-2-hydroxy-5-phenyl-1-(phenylMethyl)펜틸]-카바믹산5-티아졸릴메틸에스테르모노염산염Ritonavir EP IMP B (HCl salt)Ritonavir Impurity (Hydrochloride)[4-[(2-AMino-3-Methyl-1-oxobutyl)aMino]-2-hydroxy-5-phenyl-1-(phenylMethyl) pentyl]-carbaMic Acid 5-ThiazolylMethyl Ester Monohydrochloride
물성
구조 계산 물성
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 685
화학 및 산업
응용 분야
용도[4-[(2-Amino-3-methyl-1-oxobutyl)amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic Acid 5-Thiazolylmethyl Ester Monohydrochloride, is an intermediate that can be used for the synthesis of Ritonavir (R535000), which is a selective HIV protease inhibitor.
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