Basic information
- Standard SMILES
C=CCC(NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C- InChIKey
KYFDAFPDLUKRIO-LOACHALJSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- N-(N-Benzyloxycarbonyl-2-Amino-4-Pentenoyl)-L-Valine
- IUPAC
- (2S)-3-methyl-2-[2-(phenylmethoxycarbonylamino)pent-4-enoylamino]butanoic acid
Names & synonyms
SCHEMBL7944510KYFDAFPDLUKRIO-LOACHALJSA-NN-(N-Benzyloxycarbonyl-2-Amino-4-Pentenoyl)-L-Valine
Database identifiers
- PubChem CID
- 20662989
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
1 records
Compound notes
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