Basic information
- Standard SMILES
C=CCN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1- InChIKey
MXMMHEQTUJTZHZ-QFIPXVFZSA-N- Molecular formula
- C25H32N2O3
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.24129289
Names & identifiers
- Preferred name
- (S)-N-Benzyl-N-methyl-2-[N-(t-butoxycarbonyl)-allylamino]-3-phenyl-propionamide
- IUPAC
- tert-butyl N-[(2S)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-N-prop-2-enylcarbamate
Names & synonyms
SCHEMBL6588963MXMMHEQTUJTZHZ-QFIPXVFZSA-N(S)-N-benzyl-N-methyl-2-[N'-(t-butoxycarbonyl)-allylamino]-3-phenyl-propionamide(S)-N-Benzyl-N-methyl-2-[N-(t-butoxycarbonyl)-allylamino]-3-phenyl-propionamide
Database identifiers
- PubChem CID
- 54096526
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 557
Related reactions
4 records
Compound notes
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