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

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(phenethylcarbamoylamino)hexanoic acid Openeye Name: 2-[isobutyl(p-tolylsulfonyl)amino]-6-(phenethylcarbamoylamino)hexanoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[oxo-(phenethylamino)methyl]amino]hexanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-(phenethylcarbamoylamino)hexanoic acid Traditional Name: 2-[isobutyl(tosyl)amino]-6-(phenethylcarbamoylamino)hexanoic acid Formula: C26H37N3O5S MolecularWeight: 503.65408

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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)NCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)NCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H37N3O5S/c1-20(2)19-29(35(33,34)23-14-12-21(3)13-15-23)24(25(30)31)11-7-8-17-27-26(32)28-18-16-22-9-5-4-6-10-22/h4-6,9-10,12-15,20,24H,7-8,11,16-19H2,1-3H3,(H,30,31)(H2,27,28,32)