Basic information
- Standard SMILES
CCOC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O)C(C)C)c1ccccc1- InChIKey
SMZXWTDFYMJAIL-ZGISXQDKSA-N- Molecular formula
- C34H41N3O7
- Average molar mass
- 603.7 g/mol
- Monoisotopic mass
- 603.29445066
Names & identifiers
- Preferred name
- N-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-valine (R)-alpha-ethoxymethylbenzylamide
- IUPAC
- (3S)-2-benzyl-4-[[(2R)-1-[[(1R)-2-ethoxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
Names & synonyms
SMZXWTDFYMJAIL-ZGISXQDKSA-NN-benzyloxycarbonyl-beta-benzyl-L-aspartyl-D-valine (R)-alpha-ethoxymethylbenzylamide
Database identifiers
- PubChem CID
- 54314208
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 895
Related reactions
1 records
Linked notes
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