Basic information
- CAS
5874-76-0- Standard SMILES
COC(=O)C(CO)NC(=O)C(CO)NC(=O)OCc1ccccc1- InChIKey
WMKCPTRURVRKRM-UHFFFAOYSA-N- Molecular formula
- C15H20N2O7
- Average molar mass
- 340.33 g/mol
- Monoisotopic mass
- 340.12705098
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-2-[(3-hydroxy-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoate
- IUPAC
- methyl 3-hydroxy-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Names & synonyms
NSC3337475874-76-0Methyl N-[(benzyloxy)carbonyl]serylserinatemethyl 3-hydroxy-2-[(3-hydroxy-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoateSCHEMBL6831659DTXSID00318672NSC-333747DS-011438methyl 2-[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoate
Database identifiers
- CAS
5874-76-0- PubChem CID
- 333328
- DTXSID
DTXSID00318672
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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