Basic information
- Standard SMILES
COC(=O)C(CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)OCc1ccccc1- InChIKey
ZYVUSARGYQIYAP-UHFFFAOYSA-N- Molecular formula
- C21H31N3O7
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.21620034
Names & identifiers
- IUPAC
- methyl 2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Database identifiers
- PubChem CID
- 77745119
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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