Basic information
- Standard SMILES
COC(=O)CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)OCc1ccccc1- InChIKey
VBMGMWLAZWGNGF-FUBQLUNQSA-N- Molecular formula
- C21H24N2O5
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.16852187
Names & identifiers
- Preferred name
- 4-(methoxycarbonyl)phenylaminocarbonyl-L-valine benzyl ester
- IUPAC
- 1-O-benzyl 5-O-methyl (2S)-3-methyl-2-(phenylcarbamoylamino)pentanedioate
Names & synonyms
SCHEMBL7304298VBMGMWLAZWGNGF-FUBQLUNQSA-N4-(methoxycarbonyl)phenylaminocarbonyl-L-valine benzyl ester
Database identifiers
- PubChem CID
- 70050348
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 513
Related reactions
2 records
Compound notes
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