기본 정보
- CAS
192726-06-0- 표준 SMILES
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@@H](N)Cc1ccccc1)N1CCCNC1=O.O=C1CC[C@@H](C(=O)O)N1- InChIKey
XTNBASMLUMHKST-JBINCMMUSA-N- 분자식
- C32H45N5O6
- 평균 분자량
- 595.7 g/mol
- 단동위원소 질량
- 595.33698417
이름 및 식별자
- 우선 이름
- N-(4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide;(2S)-5-oxopyrrolidine-2-carboxylic acid
- 영어명
- N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acid
- 분자식
- C27H38N4O3.C5H7NO3
- 분자량
- 595.73
이름 및 동의어
192726-06-0(S)-N-((2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide compd with (S)-5-oxopyrrolidine-2-carboxylic acidN-(4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acid(2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide;(2S)-5-oxopyrrolidine-2-carboxylic acidDTXSID80940950(2S)-5-oxopyrrolidine-2-carboxylic acid; (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamideAKOS016003696N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyrami(2S)-5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--(2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-2-(2-hydroxy-5,6-dihydropyrimidin-1(4H)-yl)-3-methylbutanimidic acid (1/1)5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--N-(5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)-2-(2-hydroxy-5,6-dihydropyrimidin-1(4H)-yl)-3-methylbutanimidic acid (1/1)N-(4- Amino -1- Benzyl -3- Hydroxy -5- Phenyl Pentyl )-3- Methyl -2- (2- Oxo- Tetrahydro- Pyrimidin-1-Yl)-Butyramide 5- Oxopyrrolidine-2- Carboxylic AcidLopinavir Intermediate 2
이름 더 보기
N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2...N-(5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide(2S,3S,5S)-2-Amino-3-hydroxy-5-(1-tetra hydro pyrmid-2- only)-3-methyl butanoyl) amino-1,6-diphenyl hexane-Spyro-glutamate(2S,3S,5S)-2-Amino-3-hydroxy-5-(1-tetra hydro pyrmid-2-onyl)-3-methyl butanoyl) amino-1,6-diphenyl hexane-S-pyro glutamateN-(4-AMINO-1-BENZYL-3-HYDROXY-5-PHENYL-PENTYL)-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE 5-OXOPYRROLID 192726-06-0TIANFU CHEM--N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acidN- (4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3 methyl-2- (2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5- oxopyrrolidine-2-carboxylic acid(THP)
데이터베이스 식별자
- CAS
192726-06-0- PubChem CID
- 71463683
- DTXSID
DTXSID80940950
물성
구조 계산 물성
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 786
물리화학적 성질
- InChIKey
- XTNBASMLUMHKST-OGWDEQKONA-N
- SMILES
- C([C@@H]1CCC(=O)N1)(=O)O.[C@H](N1CCCNC1=O)(C(C)C)C(=O)N[C@H](C[C@H](O)[C@@H](N)CC1C=CC=CC=1)CC1C=CC=CC=1 |&1:1,9,23,25,27,r|
화학 및 산업
공급사30 곳
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