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Basic information
- Standard SMILES
CCOC(=O)c1cnc(NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)s1- InChIKey
QMTUDNGDUQZPCF-BLRBJFNZSA-N- Molecular formula
- C25H22ClN7O4S
- Average molar mass
- 552 g/mol
Names & identifiers
- Preferred name
- 2-{(S)-2-[(E)-3-(5-chloro-2-tetrazol-1-yl-phenyl)-acryloylamino]-3-phenyl-propionylamino}-thiazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-[[(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL3005039QMTUDNGDUQZPCF-BLRBJFNZSA-N2-{(S)-2-[(E)-3-(5-chloro-2-tetrazol-1-yl-phenyl)-acryloylamino]-3-phenyl-propionylamino}-thiazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 86643279
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 847
Related reactions
1 records
Compound notes
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