Basic information
- Standard SMILES
Cc1ccccc1C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1)C(C)(C)C- InChIKey
VKFMCHRDPXPMCQ-OIFRRMEBSA-N- Molecular formula
- C36H51N3O6
- Average molar mass
- 621.8 g/mol
- Monoisotopic mass
- 621.37778636
Names & identifiers
- Preferred name
- N-[N-[N-(tert-butoxycarbonyl)-2-methyl-L-phenylalanyl]-3-methyl-L-valyl]-3-cyclopentyl-L-alanine benzyl ester
- IUPAC
- benzyl (2S)-3-cyclopentyl-2-[[(2S)-3,3-dimethyl-2-[[(2S)-3-(2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoyl]amino]propanoate
Names & synonyms
SCHEMBL7420386VKFMCHRDPXPMCQ-OIFRRMEBSA-NN-[N-[N-(tert-butoxycarbonyl)-2-methyl-L-phenylalanyl]-3-methyl-L-valyl]-3-cyclopentyl-L-alanine benzyl ester
Database identifiers
- PubChem CID
- 54396325
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 974
Related reactions
2 records
Compound notes
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