Basic information
- CAS
137015-76-0- Standard SMILES
CC(C)CCNC(=O)[C@H](CC(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(C(=O)[C@H](Cc1ccccc1)NC(=O)C1(N)CCCCC1)C(C)C.Cl- InChIKey
FYJBAYZGTRPPRI-OTBKOAHWSA-N- Molecular formula
- C41H62ClN5O7
- Average molar mass
- 772.4 g/mol
- Monoisotopic mass
- 771.433777
Overview
structure given in first source
Names & identifiers
- Preferred name
- UK 88947
- IUPAC
- (3S)-3-amino-4-[[(2S,5R,8S)-8-[(1-aminocyclohexanecarbonyl)amino]-3-hydroxy-5-(3-methylbutylcarbamoyl)-7-oxo-1,9-diphenyl-6-propan-2-ylnonan-2-yl]amino]-4-oxobutanoic acid;hydrochloride
- English name
- UK 88947
- Molecular formula
- C41H63ClN6O6
- Molecular weight
- 771.44
Names & synonyms
UK 88947UK-88,947L-Aspartamide, N-((1-aminocyclohexyl)carbonyl)-L-phenylalanyl-N1-(2-hydroxy-6-methyl-4-(((2-methylpropyl)amino)carbonyl)-1-(phenylmethyl)heptyl)-, monohydrochloride, (1S-(1R*,2R*,4S*))-N-Isopentyl 5-(1-aminocyclohexylcarbonyl-phe-asn-amino)-4-hydroxy-2-isobutyl-6-phenylhexanamideRefChem:192965137015-76-0UK-88947 HCl(3S)-3-amino-4-[[(2S,5R,8S)-8-[(1-aminocyclohexanecarbonyl)amino]-3-hydroxy-5-(3-methylbutylcarbamoyl)-7-oxo-1,9-diphenyl-6-propan-2-ylnonan-2-yl]amino]-4-oxobutanoic acid;hydrochlorideN-Isopentyl-5-(1-aminocyclohexylcarbonyl-phenylalanyl-asparaginylamino)-4-hydroxy-2-isobutyl-6-phenylhexanamideDTXSID60929662(3S)-3-Amino-4-{[(2S,5R,8S)-8-{[(1-aminocyclohexyl)(hydroxy)methylidene]amino}-3-hydroxy-5-{hydroxy[(3-methylbutyl)imino]methyl}-7-oxo-1,9-diphenyl-6-(propan-2-yl)nonan-2-yl]imino}-4-hydroxybutanoic acid--hydrogen chloride (1/1)3-Amino-4-{[8-{[(1-aminocyclohexyl)(hydroxy)methylidene]amino}-3-hydroxy-5-{hydroxy[(3-methylbutyl)imino]methyl}-7-oxo-1,9-diphenyl-6-(propan-2-yl)nonan-2-yl]imino}-4-hydroxybutanoic acid--hydrogen chloride (1/1)
Properties
Computed structural properties
- Topological polar surface area
- 214 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 21
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,180
Chemistry & industry
Applications
DescriptionUK 88947 is a protease inhibitor.
UsesUK-88947 hydrochloride is a protease inhibitor with activity in inhibiting the replication of human immunodeficiency virus HIV-1. UK-88947 hydrochloride can be added to cells before infection to block the early steps of HIV-1 replication. The use of UK-88947 hydrochloride shows its specific inhibitory effect on HIV-1. At the same time, when the virus infects cells, it inhibits the action of viral protease and affects the virus replication process[1].
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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