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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)NCCCC[C@@H](C(=O)O)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
GGGVGSGKEKHTQB-NSOVKSMOSA-N- Molecular formula
- C30H46N4O7S2
- Average molar mass
- 638.8 g/mol
Names & identifiers
- Preferred name
- (2S)-6-[[(2S)-6-amino-2-(p-tolylsulfonylamino)hexanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
- IUPAC
- (2S)-6-[[(2S)-6-amino-2-[(4-methylphenyl)sulfonylamino]hexanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid
Names & synonyms
GGGVGSGKEKHTQB-NSOVKSMOSA-N(2S)-6-[[(2S)-6-amino-2-(p-tolylsulfonylamino)hexanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-[N'.alpha.-(4-methylbenzenesulfonyl)-L-lysyl]-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-(4-methylbenzenesulfonyl)-L-lysyl]-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[Nalpha-(4-methylbenzenesulfonyl)-L-lysyl]-L-lysine
Database identifiers
- PubChem CID
- 508562
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
3 records
Compound notes
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