Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1- InChIKey
QUXCNLLQBLKAKS-ZEQRLZLVSA-N- Molecular formula
- C27H39N5O8S2
- Average molar mass
- 625.8 g/mol
Names & identifiers
- Preferred name
- (2S)-6-[[(2S)-4-amino-4-oxo-2-(p-tolylsulfonylamino)butanoyl]amino]-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]hexanoic acid
- IUPAC
- (2S)-6-[[(2S)-4-amino-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoyl]amino]-2-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Names & synonyms
QUXCNLLQBLKAKS-ZEQRLZLVSA-N(2S)-6-[[(2S)-4-amino-4-oxo-2-(p-tolylsulfonylamino)butanoyl]amino]-2-[(4-aminophenyl)sulfonyl-isobutyl-amino]hexanoic acidN.alpha.-(4-aminobenzenesulfonyl)-N.alpha.-isobutyl-N.epsilon.-[N'.alpha.-(4-methylbenzenesulfonyl)-L-asparagyl]-L-lysineNalpha-(4-aminobenzenesulfonyl)-Nalpha-isobutyl-Nepsilon-[N'alpha-(4-methylbenzenesulfonyl)-L-asparagyl]-L-lysineNalpha-(4-aminobenzenesulfonyl)-Nalpha-isobutyl-Nepsilon-[Nalpha-(4-methylbenzenesulfonyl)-L-asparagyl]-L-lysine
Database identifiers
- PubChem CID
- 508570
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
5 records
Compound notes
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