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

Systemtic Name: (2S)-6-[2-(1H-indol-3-yl)ethylcarbamoylamino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Openeye Name: (2S)-6-[2-(1H-indol-3-yl)ethylcarbamoylamino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid CAS Name: (2S)-6-[[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid IUPAC Name: (2S)-6-[2-(1H-indol-3-yl)ethylcarbamoylamino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid Traditional Name: (2S)-6-[2-(1H-indol-3-yl)ethylcarbamoylamino]-2-[isobutyl(tosyl)amino]hexanoic acid Formula: C28H38N4O5S MolecularWeight: 542.69012

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)NCCC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C28H38N4O5S/c1-20(2)19-32(38(36,37)23-13-11-21(3)12-14-23)26(27(33)34)10-6-7-16-29-28(35)30-17-15-22-18-31-25-9-5-4-8-24(22)25/h4-5,8-9,11-14,18,20,26,31H,6-7,10,15-17,19H2,1-3H3,(H,33,34)(H2,29,30,35)/t26-/m0/s1