Desnicotinyl indinavir
기본 정보
- CAS
150323-38-9- 표준 SMILES
CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O- InChIKey
VYHZFERHANNWDC-WXGGYGAESA-N- 분자식
- C30H42N4O4
- 평균 분자량
- 522.7 g/mol
- 단동위원소 질량
- 522.32060583
이름 및 식별자
- 우선 이름
- Desnicotinyl indinavir
- IUPAC
- (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide
- 영어명
- [1(1S,2R),5(S)]-2,3,5-Trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-[2-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperazinyl]-2-(phenylmethyl)-D-erythro-pentonamide
- 분자식
- C30H42N4O4
- 분자량
- 522.68
이름 및 동의어
150323-38-9Desnicotinyl indinavir(+)-Desnicotinyl indinavirDes-3-pyridylmethyl Indinavir (>90%)CHEMBL94998N2VRY18Z(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamideDes-3-pyridylmethyl Indinavir (>90per cent)(2S)-1-((2S,4R)-4-Benzyl-2-hydroxy-5-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)-5-oxopentyl)-N-(1,1-dimethylethyl)piperazine-2-carboxamide(S)-1-((2S,4R)-4-Benzyl-2-hydroxy-5-((1S,2R)-2-hydroxyindan-1-ylamino)-5-oxopentyl)-N-tert-butylpiperazine-2-carboxamideD-Erythro-pentonamide, 2,3,5-trideoxy-N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-((2S)-2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperazinyl)-2-(phenylmethyl)-D-Erythro-pentonamide, 2,3,5-trideoxy-N-(2,3-dihydro-2-hydroxy-1H-inden-1-yl)-5-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperazinyl)-2-(phenylmethyl)-, (1(1S,2R),5(S))-
이름 더 보기
Des-3-pyridylmethyl IndinavirDes-3-pyridylmethyl Indinavir (>Des-3-pyridylMethyl Indinavir (>90%)Indinavir Impurity 2 （Indinavir EP Impurity B)(S)-1-((2S,4R)-4-Benzyl-2-hydroxy-5-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino)-5-oxopentyl)-N-(tert-butyl)piperazine-2-carboxamide[1(1s,2r),5(S)]-2,3,5-Trideoxy-N-(2,3-Dihydro-2-Hydroxy-1h-Inden-1-Yl)-5-[2-[[(1,1-Dimethyl)Amino]Carbonyl]-1-Piperazinyl]-2-(Phenylmethyl)-D-Erythro-Pentonamide
데이터베이스 식별자
- CAS
150323-38-9- PubChem CID
- 5479517
- ChEMBL
CHEMBL949- UNII
- 98N2VRY18Z
- Nikkaji
- J626.215E
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 781
물리화학적 성질
- 녹는점
- 140 °C · >140°C (dec.)
- 밀도
- 1.22 · 1.22
- 저장 조건
- Refrigerator
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 연한 갈색
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