기본 정보
- CAS
1217772-02-5- 표준 SMILES
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@@H](N)Cc2ccccc2)C(C)C)cs1- InChIKey
IQKWCORIMSRQGZ-AMEOFWRWSA-N- 분자식
- C32H45N5O3S
- 평균 분자량
- 579.8 g/mol
이름 및 식별자
- 우선 이름
- A-98498
- IUPAC
- (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
- 영어명
- Desthiazolylmethyloxycarbonyl Ritonavir-d6
- 분자식
- C32H45N5O3S
- 분자량
- 579.8
이름 및 동의어
Ritonavir metabolite M1UNII-34F916N28ZA-9849834F916N28ZDTXSID00466763(2S)-N-((1S,3S,4S)-4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-2-(((2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl)amino)-3-methyl-butanamideButanamide, N-((1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-(((methyl((2-(1-methylethyl)-4-thiazolyl)methyl)amino)carbonyl)amino)-, (2S)-Butanamide, N-(4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-(((methyl((2-(1-methylethyl)-4-thiazolyl)methyl)amino)carbonyl)amino)-, (1S-(1R*(R*),3R*,4R*))-Butanamide, N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, (2S)-(2S)-N-[(1S,3S,4S)-4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl]-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanamideRefChem:199305DTXCID90417582
이름 더 보기
Desthiazolylmethyloxycarbonyl Ritonavir-d6[2H6]-Desthiazolylmethyloxycarbonyl Ritonavir2S)-N-[(1S,3S,4S)-4-AMino-3-hydroxy-5-phenyl-1-(phenylMethyl)pentyl]-3-Methyl-2-[[[Methyl[[2-(1-Methylethyl-d6)-4-thiazolyl]Methyl]aMino]carbonyl]aMino]butanaMide
176655-55-3Ritonavir MetaboliteDesthiazolylmethyloxycarbonyl RitonavirRitonavir metabolite Desthiazolylmethyloxycarbonyl Ritonavir(2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamideN-[(2s,4s,5s)-5-Amino-4-Hydroxy-1,6-Diphenylhexan-2-Yl]-N~2~-(Methyl{[2-(Propan-2-Yl)-1,3-Thiazol-4-Yl]methyl}carbamoyl)-L-ValinamideC32H45N5O3SRitonavirMetabolite
데이터베이스 식별자
- CAS
1217772-02-5- ChEMBL
CHEMBL3544848- UNII
- 34F916N28Z
- Nikkaji
- J1.837.568K
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 787
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Ritonavir
물리화학적 성질
- 녹는점
- 73 · 73-76°C
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 옅은 베이지까지
화학적 성질
Off-White Solid
화학 및 산업
공급사4 곳
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南京世洲生物科技有限公司17301488900 · [email protected]
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