Basic information
- Standard SMILES
CCOC(=O)C(C=CC(=O)OC(c1ccccc1)c1ccccc1)(C(=O)OCC)c1csc(NC(=O)OCc2ccccc2)n1- InChIKey
NPXZTXQTSGOFMJ-UHFFFAOYSA-N- Molecular formula
- C34H32N2O8S
- Average molar mass
- 628.7 g/mol
Names & identifiers
- Preferred name
- 3-Diphenylmethoxycarbonyl-1-(2-benzyloxycarbonylamino-4-thiazolyl)-2-propene-1,1-dicarboxylic acid diethyl ester
- IUPAC
- 3-O-benzhydryl 1-O,1-O-diethyl 1-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]prop-2-ene-1,1,3-tricarboxylate
Names & synonyms
SCHEMBL10506269NPXZTXQTSGOFMJ-UHFFFAOYSA-N3-diphenylmethoxycarbonyl-1-(2-benzyloxycarbonylamino-4-thiazolyl)-2-propene-1,1-dicarboxylic acid diethyl ester
Database identifiers
- PubChem CID
- 54124382
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 968
Related reactions
1 records
Compound notes
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