Basic information
- Standard SMILES
COC(=O)NC(C)(C)C[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(-c3ccc(=O)n(C)c3)cc2)C(=O)O1- InChIKey
CBIRWVVRVIYWAY-JRPXNJEYSA-N- Molecular formula
- C30H35N3O5
- Average molar mass
- 517.6 g/mol
Names & identifiers
- Preferred name
- methyl 2-methyl-1-((S)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)propan-2-ylcarbamate
- IUPAC
- methyl N-[2-methyl-1-[(6S)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propan-2-yl]carbamate
Names & synonyms
SCHEMBL117505CHEMBL3664639CBIRWVVRVIYWAY-JRPXNJEYSA-NBDBM107581US8575157, 9methyl 2-methyl-1-((S)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)propan-2-ylcarbamate
Database identifiers
- PubChem CID
- 59635641
- ChEMBL
CHEMBL3664639
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 946
Related reactions
5 records
Compound notes
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