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기본 정보
- CAS
112190-24-6- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1- InChIKey
ZTKCGLWIXHAITR-JIFWBGJESA-N- 분자식
- C45H61N7O7
- 평균 분자량
- 812.025 g/mol
- 단동위원소 질량
- 811.46324729
이름 및 식별자
- 우선 이름
- U 75875
- IUPAC
- (2R,3R,4R,5S)-6-Cyclohexyl-3,4-dihydroxy-5-{[(2S)-3-(1H-imidazol-5-yl)-2-{2-[(naphthalen-1-yl)oxy]acetamido}propanoyl]amino}-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(propan-2-yl)hexanamide
- 영어명
- U 75875
- 분자식
- C45H61N7O7
- 분자량
- 812.01
이름 및 동의어
U 75875PNU-75875N-(1-Naphtyloxyacetyl)-L-His-[(2R,3R,4R,5S)-3,4-dihydroxy-2-isopropyl-5-(cyclohexylmethyl)-5-amino*pentanoyl]-L-Ile-(2-pyridylmethyl)NH2L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[(1-naphthalenyloxy)acetyl]amino]-1-oxopropyl]amino]-2-(1-methylethyl)-N-[(1S,2S)-2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]-(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
데이터베이스 식별자
- CAS
112190-24-6- PubChem CID
- 5479205
- DTXSID
DTXSID20149940- ChEMBL
CHEMBL3350189- Nikkaji
- J425.777D
물성
물리화학적 성질
- 끓는 점
- 1158.5 · 1158.5±65.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.71 · 12.71±0.46(Predicted)
화학 및 산업
응용 분야
용도U 75875, is a peptidomimetic inhibitor, that inhibits HIV-1 gag-pol protein. In human peripheral blood mononuclear cells and in a continuous cell line, U-75875 completely blocked HIV replication, so it can be used as therapeutic potential of protease inhibitors for treatment of HIV infection.
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