L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
Basic information
- CAS
178910-89-9- Standard SMILES
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CO)Cc1ccccc1- InChIKey
HWEHRTUKESJLNI-ZWOKBUDYSA-N- Molecular formula
- C23H29N3O5
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.21072103
Names & identifiers
- Preferred name
- L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-
- IUPAC
- benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Names & synonyms
CHEMBL164250SCHEMBL8742453DTXSID701119417178910-89-9L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-[(1S)-1-(hydroxymethyl)-2-phenylethyl]-N-[(Benzyloxy)carbonyl]-L-alanyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-L-alaninamide
Database identifiers
- CAS
178910-89-9- PubChem CID
- 44375360
- DTXSID
DTXSID701119417- ChEMBL
CHEMBL164250
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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