Temocapil
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Basic information
- Standard SMILES
CCOC(=O)C(CCc1ccccc1)NC1CSC(c2cccs2)CN(CC(=O)O)C1=O- InChIKey
FIQOFIRCTOWDOW-UHFFFAOYSA-N- Molecular formula
- C23H28N2O5S2
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- Temocapil
- IUPAC
- 2-[6-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid
Names & synonyms
TemocapilSCHEMBL10376961FIQOFIRCTOWDOW-UHFFFAOYSA-NHMS5086B212-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid2-[(2S)-6-[[(1S)-1-Ethoxycarbonyl-3-phenyl-propyl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid;2-((2S,6R)-6-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl)acetic acidGEC84003s2100AKOS040759235NCGC00389412-01TS-09711DB-041020
Show more names
alpha-[6-(1-Ethoxycarbonyl-3-phenylpropylamino)-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl]acetic acid
Database identifiers
- PubChem CID
- 5393
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 644
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Related reactions
3 records
Compound notes
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