2-[(2-Benzamidobenzoyl)amino]-3-methylpentanoic acid
Basic information
- CAS
1007958-31-7- Standard SMILES
CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O- InChIKey
JSYWEFSXSAYLEY-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.15795719
Names & identifiers
- Preferred name
- 2-[(2-Benzamidobenzoyl)amino]-3-methylpentanoic acid
- IUPAC
- 2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acid
Names & synonyms
1007958-31-72-(2-benzamidobenzamido)-3-methylpentanoic acidN-[2-(benzoylamino)benzoyl]isoleucine2-[(2-benzamidobenzoyl)amino]-3-methylpentanoic acidCambridge id 6054411MLS000673459CHEMBL1736771N-(2-Benzamidobenzoyl)isoleucineDTXSID901330097HMS2750J13STL553592AKOS003302013
Show more names
SMR000298105AE-848/14761132SR-01000226337SR-01000226337-1N-({2-[(phenylcarbonyl)amino]phenyl}carbonyl)isoleucine
Database identifiers
- CAS
1007958-31-7- PubChem CID
- 2883262
- DTXSID
DTXSID901330097- ChEMBL
CHEMBL1736771
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
Solubility50.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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