Basic information
- Standard SMILES
CN1C(=O)COc2ccc(-c3ccc(C[C@H](NC(=O)C4(NC(=O)OC(C)(C)C)CCOCC4)C(N)=O)cc3)cc21- InChIKey
VFYVKRGTKDUWOH-NRFANRHFSA-N- Molecular formula
- C29H36N4O7
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 552.2583995
Names & identifiers
- Preferred name
- (S)-tert-Butyl 4-(1-amino-3-(4-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)phenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
- IUPAC
- tert-butyl N-[4-[[(2S)-1-amino-3-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate
Names & synonyms
SCHEMBL7866073VFYVKRGTKDUWOH-NRFANRHFSA-N(S)-tert-Butyl 4-(1-amino-3-(4-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)phenyl)-1-oxopropan-2-ylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
Database identifiers
- PubChem CID
- 59568612
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 937
Related reactions
2 records
Compound notes
Loading…