2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[(phenylmethyl)carbamoylamino]hexanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[(phenylmethyl)carbamoylamino]hexanoic acid Openeye Name: 6-(benzylcarbamoylamino)-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[oxo-[(phenylmethyl)amino]methyl]amino]hexanoic acid IUPAC Name: 6-(benzylcarbamoylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: 6-(benzylcarbamoylamino)-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C25H35N3O5S MolecularWeight: 489.6275

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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=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)NCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H35N3O5S/c1-19(2)18-28(34(32,33)22-14-12-20(3)13-15-22)23(24(29)30)11-7-8-16-26-25(31)27-17-21-9-5-4-6-10-21/h4-6,9-10,12-15,19,23H,7-8,11,16-18H2,1-3H3,(H,29,30)(H2,26,27,31)