Basic information
- CAS
285996-53-4- Standard SMILES
COC(=O)[C@@H](NC(Cc1ccccc1)C(=O)NC1CCCCC1)c1ccccc1- InChIKey
LQQOVRLCVWTYHP-KEKNWZKVSA-N- Molecular formula
- C24H30N2O3
- Average molar mass
- 394.5 g/mol
Names & identifiers
- Preferred name
- methyl (2S)-2-[[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-phenylacetate
- IUPAC
- methyl (2S)-2-[[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-phenylacetate
- English name
- Benzeneacetic acid, alpha-[[2-(cyclohexylamino)-2-oxo-1-(phenylmethyl)ethyl]amino]-, methyl ester, (alphaS)- (9CI)
- Molecular formula
- C24H30N2O3
- Molecular weight
- 394.5066
Names & synonyms
285996-53-4Benzeneacetic acid, alpha-[[2-(cyclohexylamino)-2-oxo-1-(phenylmethyl)ethyl]amino]-, methyl ester, (alphaS)- (9CI)
Database identifiers
- CAS
285996-53-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 506
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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