(2S)-2-[isobutyl(p-tolylsulfonyl)amino]-6-[[2-(4-pyridylamino)acetyl]amino]hexanoic acid

HCID 508634

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

Related reactions

5 records

Linked notes

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