2-[[3-Methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-(phenylmethyl)amino]acetic acid ethyl ester
Basic information
- CAS
192582-88-0- Standard SMILES
CCOC(=O)CN(Cc1ccccc1)C(=O)C(NC(=O)OC(C)(C)C)C(C)C- InChIKey
GHFOLLBWBCOXGG-UHFFFAOYSA-N- Molecular formula
- C21H32N2O5
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.23112213
Names & identifiers
- Preferred name
- 2-[[3-Methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-(phenylmethyl)amino]acetic acid ethyl ester
- IUPAC
- ethyl 2-[benzyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetate
Names & synonyms
192582-88-02-[[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-(phenylmethyl)amino]acetic acid ethyl esterEthyl N-(tert-butoxycarbonyl)valyl-N-benzylglycinateSCHEMBL6262924DTXSID50624199
Database identifiers
- CAS
192582-88-0- PubChem CID
- 22277239
- DTXSID
DTXSID50624199
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 521
Related reactions
3 records
Compound notes
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