alpha-{6-[1-Carboxy-3-phenylpropylamino]-5-oxo-2-phenylperhydro-1,4-thiazepin-4-yl}acetic acid
Basic information
- Standard SMILES
O=C(O)CN1CC(c2ccccc2)SCC(NC(CCc2ccccc2)C(=O)O)C1=O- InChIKey
RYEAECHOAWRETF-UHFFFAOYSA-N- Molecular formula
- C23H26N2O5S
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- alpha-{6-[1-Carboxy-3-phenylpropylamino]-5-oxo-2-phenylperhydro-1,4-thiazepin-4-yl}acetic acid
- IUPAC
- 2-[[4-(carboxymethyl)-5-oxo-2-phenyl-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid
Names & synonyms
SCHEMBL9524805RYEAECHOAWRETF-UHFFFAOYSA-Nalpha-{6-[1-Carboxy-3-phenylpropylamino]-5-oxo-2-phenylperhydro-1,4-thiazepin-4-yl}acetic acid
Database identifiers
- PubChem CID
- 13877902
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 619
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Related reactions
5 records
Compound notes
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