benzyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Basic information
- CAS
129467-48-7- Standard SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C- InChIKey
TZRRVSCDIPHXHN-RRUVMKMCSA-N- Molecular formula
- C44H54N4O8
- Average molar mass
- 766.9 g/mol
- Monoisotopic mass
- 766.39416469
Names & identifiers
- Preferred name
- benzyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
- English name
- Q8024
- Molecular formula
- C44H54N4O8
- Molecular weight
- 766.92
Names & synonyms
129467-48-7A-75925A 75925CHEMBL289846Q8024BzOCValPhe(diCHOH(RR))PheValBzOCbenzyl N-[(2S)-1-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate2,5-Diamino-N,N'-bis(N-benzyloxycarbonylvalyl)-1,6-diphenyl-3(R),4(R)-hexanediol142861-15-2L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis(((2S)-3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-1,6-diphenyl-L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1,6-diphenyl-BzOCValPhe[diCHOH(RR)]PheValBzOC
Show more names
Aids001835Aids-001835
BDBM50064200orb1701362SCHEMBL6446780BDBM586099DTXSID801384796AKOS040747671HY-125433T26442
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,090
Physicochemical properties
- Boiling point
- 995.924 · 995.924±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.787 · 10.787±0.46(predicted)
Chemistry & industry
Applications
DescriptionA 75925 is a nonnucleoside reverse transcriptase inhibitors (NNRTI). It works to inhibit HIV-1 replication.
UsesA-75925 is a human immunodeficiency virus type 1 (HIV-1) proteinase inhibitor and can be utilized in HIV-1 rersearch[1].
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Related reactions
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Compound notes
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