Cgp-75355
Basic information
- CAS
191594-64-6- Standard SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C- InChIKey
UZZKRELETVORAI-UYEZAFAQSA-N- Molecular formula
- C39H53N5O7
- Average molar mass
- 703.9 g/mol
- Monoisotopic mass
- 703.39449905
Names & identifiers
- Preferred name
- Cgp-75355
- IUPAC
- methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Names & synonyms
CGP-75355191594-64-6CGP 753554ZE7DBE752DTXSID70172687RefChem:124823DTXCID0095178UNII-4ZE7DBE752CHEMBL3241081-(4-Biphenylyl)-4(S)-hydroxy-5(S)-2,5-bis((N-(methoxycarbonyl-)-L-tert-leucinyl)amino)-6-phenyl-2-azahexanemethyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamateNSC742546
Show more names
orb1697864SCHEMBL29623988BDBM50066466AKOS040751124(-)-CGP-75355T30853Q27260708((S)-1-{N''-Biphenyl-4-ylmethyl-N''-[(2S,3S)-2-hydroxy-3-((S)-2-methoxycarbonylamino-3,3-dimethyl-butyrylamino)-4-phenyl-butyl]-hydrazinocarbonyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester
Database identifiers
- CAS
191594-64-6- PubChem CID
- 469665
- DTXSID
DTXSID70172687- ChEMBL
CHEMBL324108- UNII
- 4ZE7DBE752
- Nikkaji
- J1.006.723E
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,100
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationInhibitors of HIV PROTEASE, an enzyme required for production of proteins needed for viral assembly.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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