Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
DLWAIXICLRBUBG-DQEYMECFSA-N- Molecular formula
- C28H39N3O9S2
- Average molar mass
- 625.8 g/mol
Names & identifiers
- Preferred name
- (2S)-6-[[(2S)-4-hydroxy-4-oxo-2-(p-tolylsulfonylamino)butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
- IUPAC
- (2S)-6-[[(2S)-3-carboxy-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Names & synonyms
DLWAIXICLRBUBG-DQEYMECFSA-N(2S)-6-[[(2S)-4-hydroxy-4-oxo-2-(p-tolylsulfonylamino)butanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-[N'.alpha.-(4-methylbenzenesulfonyl)-L-aspartyl]-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-(4-methylbenzenesulfonyl)-L-aspartyl]-L-lysine
Database identifiers
- PubChem CID
- 508564
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
5 records
Compound notes
Loading…