Basic information
- Standard SMILES
CC(OC(C)(C)C)[C@H](NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1- InChIKey
VIORQHOQKHQBFD-HWYGMYFGSA-N- Molecular formula
- C23H34N4O7
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.24274944
Names & identifiers
- Preferred name
- 4[N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-(S)-2-amino-3-tert-butoxybutyryl]morpholine
- IUPAC
- (2S)-N-[(2S)-3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxobutan-2-yl]-2-[[2-(3-nitrophenyl)acetyl]amino]propanamide
Names & synonyms
SCHEMBL5966843VIORQHOQKHQBFD-HWYGMYFGSA-N4-[N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-(S)-2-amino-3-tert-butoxybutyryl]morpholine4[N-[N-(3-Nitrophenylacetyl)-L-alaninyl]-(S)-2-amino-3-tert-butoxybutyryl]morpholine
Database identifiers
- PubChem CID
- 69622795
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 728
Related reactions
6 records
Compound notes
Loading…