alpha-[6-(1-Butoxycarbonyl-3-phenylpropylamino)-2-(2-furyl)-5-oxoperhydro-1,4-thiazepin-4-yl]acetic acid
Basic information
- Standard SMILES
CCCCOC(=O)C(CCc1ccccc1)NC1CSC(c2ccco2)CN(CC(=O)O)C1=O- InChIKey
SPCGGXFWDGJBBL-UHFFFAOYSA-N- Molecular formula
- C25H32N2O6S
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- alpha-[6-(1-Butoxycarbonyl-3-phenylpropylamino)-2-(2-furyl)-5-oxoperhydro-1,4-thiazepin-4-yl]acetic acid
- IUPAC
- 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-(furan-2-yl)-5-oxo-1,4-thiazepan-4-yl]acetic acid
Names & synonyms
SCHEMBL10378447SPCGGXFWDGJBBL-UHFFFAOYSA-Nalpha-[6-(1-Butoxycarbonyl-3-phenylpropylamino)-2-(2-furyl)-5-oxoperhydro-1,4-thiazepin-4-yl]acetic acid
Database identifiers
- PubChem CID
- 20164797
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 672
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Related reactions
2 records
Compound notes
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