6-(1H-indol-3-ylcarbamoylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

Systemtic Name: 6-(1H-indol-3-ylcarbamoylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Openeye Name: 6-(1H-indol-3-ylcarbamoylamino)-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: 6-[[(1H-indol-3-ylamino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: 6-(1H-indol-3-ylcarbamoylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: 6-(1H-indol-3-ylcarbamoylamino)-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C26H34N4O5S MolecularWeight: 514.63696

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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)NC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)C(CCCCNC(=O)NC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C26H34N4O5S/c1-18(2)17-30(36(34,35)20-13-11-19(3)12-14-20)24(25(31)32)10-6-7-15-27-26(33)29-23-16-28-22-9-5-4-8-21(22)23/h4-5,8-9,11-14,16,18,24,28H,6-7,10,15,17H2,1-3H3,(H,31,32)(H2,27,29,33)