Basic information
- Standard SMILES
COC(=O)C(CSCC(CC(=O)O)C(=O)c1cccnc1)NC(=O)Nc1ccccc1OC- InChIKey
CLDXNWSYMUVMMM-UHFFFAOYSA-N- Molecular formula
- C22H25N3O7S
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.14132132
Names & identifiers
- Preferred name
- 3-[[3-Methoxy-2-[(2-methoxyphenyl)carbamoylamino]-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
- IUPAC
- 3-[[3-methoxy-2-[(2-methoxyphenyl)carbamoylamino]-3-oxopropyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
Database identifiers
- PubChem CID
- 22457761
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Related reactions
1 records
Compound notes
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