Basic information
- Standard SMILES
COC(=O)C(CSCC(CC(=O)O)C(=O)c1cccnc1)NC(=O)Nc1cc(C)cc(C)c1- InChIKey
ARLGGWVLYUCTNS-UHFFFAOYSA-N- Molecular formula
- C23H27N3O6S
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.16205676
Names & identifiers
- Preferred name
- 3-[[2-[(3,5-Dimethylphenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
- IUPAC
- 3-[[2-[(3,5-dimethylphenyl)carbamoylamino]-3-methoxy-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
Database identifiers
- PubChem CID
- 22457760
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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