Basic information
- CAS
149267-24-3- Standard SMILES
CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C- InChIKey
JNBVLGDICHLLTN-DZUOILHNSA-N- Molecular formula
- C31H51N5O5
- Average molar mass
- 573.8 g/mol
- Monoisotopic mass
- 573.38901974
Overview
structure in first source
Names & identifiers
- Preferred name
- Cgp 53820
- IUPAC
- (2S)-2-acetamido-N-[(2S,3S)-4-[[[(2S)-2-acetamido-3-methylbutanoyl]amino]-(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylbutanamide
- English name
- CGP 53820
- Molecular formula
- C31H51N5O5
- Molecular weight
- 573.77
Names & synonyms
cgp 53820149267-24-3Cgp-53820DTXSID20164214RefChem:124800DTXCID6086705ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2-BENZYL-VAL-NH-ACETYL(2S)-2-acetamido-N-[(2S,3S)-4-[[[(2S)-2-acetamido-3-methylbutanoyl]amino]-(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylbutanamideC201hih1hiicgp53820
Show more names
L-Valine, N-acetyl-, 2-[(2S,3S)-3-[[(2S)-2-(acetylamino)-3-methyl-1-oxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-(cyclohexylmethyl)hydrazide
BDBM201CHEMBL94797orb1697878SCHEMBL29624122AKOS040751112(S)-2-acetamido-N-((2S,3S)-4-(2-((S)-2-acetamido-3-methylbutanoyl)-1-(cyclohexylmethyl)hydrazinyl)-3-hydroxy-1-phenylbutan-2-yl)-3-methylbutanamideN-Acetyl-L-valine 2-((2S,3S)-3-(((2S)-2-(acetylamino)-3-methyl-1-oxobutyl)amino)-2-hydroxy-4-phenylbutyl)-2-(cyclohexylmethyl)hydrazideHY-125712
Database identifiers
- CAS
149267-24-3- PubChem CID
- 65023
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 839
Chemistry & industry
Applications
DescriptionCgp 53820 is a pseudosymmetric inhibitor of HIV-1 Protease.
UsesCGP 53820 is an inhibitor for HIV protease, inhibits the complex of HIV-1 and HIV-2 protease with Ki of 9 and 53 nM for HIV-1 protease and HIV-2 protease. CGP 53820 can be used in AIDS research[1].
Suppliers4 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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