2-[6-[(1-Butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCOC(=O)C(CCc1ccccc1)NC1CSCC(c2cccs2)N(CC(=O)O)C1=O- InChIKey
FWLJCFWBDDDOAH-UHFFFAOYSA-N- Molecular formula
- C25H32N2O5S2
- Average molar mass
- 504.7 g/mol
- Monoisotopic mass
- 504.17526447
Names & identifiers
- Preferred name
- 2-[6-[(1-Butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
- IUPAC
- 2-[6-[(1-butoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-3-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Names & synonyms
SCHEMBL10376682
Database identifiers
- PubChem CID
- 20164962
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 674
Related reactions
1 records
Compound notes
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