Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CNc2ccncc2)C(=O)O)cc1- InChIKey
HHIVRUNXWPKAJR-QFIPXVFZSA-N- Molecular formula
- C24H34N4O5S
- Average molar mass
- 490.6 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[2-(4-pyridylamino)acetyl]amino]hexanoic acid
- IUPAC
- (2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[2-(pyridin-4-ylamino)acetyl]amino]hexanoic acid
Names & synonyms
HHIVRUNXWPKAJR-QFIPXVFZSA-N(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[2-(4-pyridylamino)acetyl]amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-[N'.alpha.-(4-pyridyl)glycyl]-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[N'alpha-(4-pyridyl)glycyl]-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-[Nalpha-(4-pyridyl)glycyl]-L-lysine
Database identifiers
- PubChem CID
- 508634
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 726
Related reactions
5 records
Linked notes
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