2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoic acid Openeye Name: 2-[isobutyl(p-tolylsulfonyl)amino]-6-(3-phenylpropanoylamino)hexanoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[(1-oxo-3-phenylpropyl)amino]hexanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(3-phenylpropanoylamino)hexanoic acid Traditional Name: 6-(hydrocinnamoylamino)-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C26H36N2O5S MolecularWeight: 488.63944

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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)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H36N2O5S/c1-20(2)19-28(34(32,33)23-15-12-21(3)13-16-23)24(26(30)31)11-7-8-18-27-25(29)17-14-22-9-5-4-6-10-22/h4-6,9-10,12-13,15-16,20,24H,7-8,11,14,17-19H2,1-3H3,(H,27,29)(H,30,31)