Basic information
- CAS
129467-45-4- Standard SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C- InChIKey
GEANBHANAKKWSL-ZQWQDMLBSA-N- Molecular formula
- C43H52N4O7
- Average molar mass
- 736.9 g/mol
- Monoisotopic mass
- 736.38360001
Overview
structure given in first source
Names & identifiers
- Preferred name
- A 74704
- IUPAC
- benzyl N-[(2S)-1-[[(2S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
- English name
- A 74704
- Molecular formula
- C43H52N4O7
- Molecular weight
- 736.9
Names & synonyms
129467-45-4A 74704A-74704DTXSID40156171RefChem:108329DTXCID5078662CHEMBL307193benzyl N-[(2S)-1-[[(2S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamateBenzyl [(1r,4s,6s,9r)-4,6-Dibenzyl-5-Hydroxy-1,9-Bis(1-Methylethyl)-2,8,11-Trioxo-13-Phenyl-12-Oxa-3,7,10-Triazatridec-1-Yl]carbamate9hvpA-74704 PeptideBDBM196
Show more names
A-74404N,N'-[(1S,3S)-1,3-Dibenzyl-2-hydroxy-1,3-propanediyl]bis[(2S)-2-benzyloxycarbonylamino-3-methylbutyramide]1,2,4,5-Tetradeoxy-2,4-bis[[(S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1,5-diphenyl-L-arabinitolL-Arabinitol, 1,2,4,5-tetradeoxy-2,4-bis[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-1,5-diphenyl-
orb1701364SCHEMBL6132144{1-[(1S,3S)-1-Benzyl-3-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2-hydroxy-4-phenyl-butylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl esterNAA08117BDBM50041039AKOS040747669(2(S),4(S))-1,2,4,5-Tetradeoxy-2,4-bis((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-1,5-diphenyl-L-arabinitolbenzyl N-[(1S)-1-{[(2S,4S)-4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido]-3-hydroxy-1,5-diphenylpentan-2-yl]carbamoyl}-2-methylpropyl]carbamate
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,040
Chemistry & industry
Applications
DescriptionA 74704 is a pseudo C2-symmetric inhibitor of HIV-1 protease and its diester analog.
UsesA 74704 is a pseudo C2-symmetric inhibitor of HIV-1 protease and its diester analog[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [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]
Related reactions
0 records
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Compound notes
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