2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(pyridin-2-ylmethylcarbamoylamino)hexanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(pyridin-2-ylmethylcarbamoylamino)hexanoic acid Openeye Name: 2-[isobutyl(p-tolylsulfonyl)amino]-6-(2-pyridylmethylcarbamoylamino)hexanoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[oxo-(2-pyridinylmethylamino)methyl]amino]hexanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(pyridin-2-ylmethylcarbamoylamino)hexanoic acid Traditional Name: 2-[isobutyl(tosyl)amino]-6-(2-pyridylmethylcarbamoylamino)hexanoic acid Formula: C24H34N4O5S MolecularWeight: 490.61556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)NCC2=CC=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)NCC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C24H34N4O5S/c1-18(2)17-28(34(32,33)21-12-10-19(3)11-13-21)22(23(29)30)9-5-7-15-26-24(31)27-16-20-8-4-6-14-25-20/h4,6,8,10-14,18,22H,5,7,9,15-17H2,1-3H3,(H,29,30)(H2,26,27,31)