Basic information
- Standard SMILES
CCOC(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1- InChIKey
FDKHDXMOSKATSO-HSZRJFAPSA-N- Molecular formula
- C28H38N4O7
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.27404956
Names & identifiers
- Preferred name
- (R)-ethyl 5-(benzyloxycarbonylamino)-2-(3-(4-(tert-butoxycarbonylamino)benzyl)ureido)pentanoate
- IUPAC
- ethyl (2R)-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylcarbamoylamino]-5-(phenylmethoxycarbonylamino)pentanoate
Names & synonyms
SCHEMBL19882163FDKHDXMOSKATSO-HSZRJFAPSA-N(R)-ethyl 5-(benzyloxycarbonylamino)-2-(3-(4-(tert-butoxy-carbonylamino)benzyl)ureido)pentanoate(R)-ethyl 5-(benzyloxycarbonylamino)-2-(3-(4-(tert-butoxycarbonylamino)benzyl)ureido)pentanoate
Database identifiers
- PubChem CID
- 86723917
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 772
Related reactions
2 records
Compound notes
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