(2S)-2-amino-3-{[(3-chloro-4-methyl-5-sulfophenyl)carbamoyl]amino}propanoic acid
Basic information
- Standard SMILES
Cc1c(Cl)cc(NC(=O)NC[C@H](N)C(=O)O)cc1S(=O)(=O)O- InChIKey
QOIKHWLNGDTHKF-QMMMGPOBSA-N- Molecular formula
- C11H14ClN3O6S
- Average molar mass
- 351.76 g/mol
- Monoisotopic mass
- 351.029184
Names & identifiers
- Preferred name
- (2S)-2-amino-3-{[(3-chloro-4-methyl-5-sulfophenyl)carbamoyl]amino}propanoic acid
- IUPAC
- (2S)-2-amino-3-[(3-chloro-4-methyl-5-sulfophenyl)carbamoylamino]propanoic acid
Names & synonyms
SCHEMBL14471624QOIKHWLNGDTHKF-QMMMGPOBSA-N(2S)-2-amino-3-{[(3-chloro-4-methyl-5-sulfophenyl)carbamoyl]amino}propanoic acid
Database identifiers
- PubChem CID
- 53374468
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 522
Related reactions
1 records
Compound notes
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