Basic information
- CAS
89626-11-9- Standard SMILES
CC(NC(=O)OCc1ccccc1)C(=O)NC(NNS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1)C(=O)OCc1ccccc1- InChIKey
FRVDHSMSKGHQHN-UHFFFAOYSA-N- Molecular formula
- C28H28N4O11S
- Average molar mass
- 628.6 g/mol
- Monoisotopic mass
- 628.1475289
Names & identifiers
- Preferred name
- Glycine, 2-[2-[(3,5-dicarboxyphenyl)sulfonyl]hydrazino]-N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-, 1-(phenylmethyl) ester
- IUPAC
- 5-[[[2-oxo-2-phenylmethoxy-1-[2-(phenylmethoxycarbonylamino)propanoylamino]ethyl]amino]sulfamoyl]benzene-1,3-dicarboxylic acid
Names & synonyms
DTXSID30110479589626-11-9Glycine, 2-[2-[(3,5-dicarboxyphenyl)sulfonyl]hydrazino]-N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-, 1-(phenylmethyl) ester
Database identifiers
- CAS
89626-11-9- PubChem CID
- 165367019
- DTXSID
DTXSID301104795
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 235 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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