Basic information
- Standard SMILES
CC1(c2ccccc2)OC(CC(SC[C@H](N)C(=O)O)c2ccsc2)=CC1=O- InChIKey
QXSCMANNGQMODQ-VXESANQCSA-N- Molecular formula
- C20H21NO4S2
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.0912005
Names & identifiers
- Preferred name
- (2R)-2-amino-3-{[2-(5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2-yl)-1-thien-3-ylethyl]thio}propanoic acid
- IUPAC
- (2R)-2-amino-3-[2-(5-methyl-4-oxo-5-phenylfuran-2-yl)-1-thiophen-3-ylethyl]sulfanylpropanoic acid
Names & synonyms
SCHEMBL6753445QXSCMANNGQMODQ-VXESANQCSA-N(2R)-2-amino-3-{[2-(5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2-yl)-1-thien-3-ylethyl]thio}propanoic acid(2R)-2-amino-3-{[2-(5-methyl-4-oxo-5-phenyl-4,5-dihydrofuran-2yl)-1-thien-3-ylethyl]thio}propanoic acid
Database identifiers
- PubChem CID
- 10179320
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 591
Related reactions
1 records
Compound notes
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