6-azanyl-3-(1H-indol-3-yl)-2-[2-methylpropanoyl(phenylsulfonylamino)amino]-2-(propanoylamino)hexanoic acid

Systemtic Name: 6-azanyl-3-(1H-indol-3-yl)-2-[2-methylpropanoyl(phenylsulfonylamino)amino]-2-(propanoylamino)hexanoic acid Openeye Name: 6-amino-2-[benzenesulfonamido(2-methylpropanoyl)amino]-3-(1H-indol-3-yl)-2-(propanoylamino)hexanoic acid CAS Name: 6-amino-2-[benzenesulfonamido-(2-methyl-1-oxopropyl)amino]-3-(1H-indol-3-yl)-2-(1-oxopropylamino)hexanoic acid IUPAC Name: 6-amino-2-[benzenesulfonamido(2-methylpropanoyl)amino]-3-(1H-indol-3-yl)-2-(propanoylamino)hexanoic acid Traditional Name: 6-amino-2-[benzenesulfonamido(isobutyryl)amino]-3-(1H-indol-3-yl)-2-propionamido-hexanoic acid Formula: C27H35N5O6S MolecularWeight: 557.6617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(CCCN)C1=CNC2=CC=CC=C21)(C(=O)O)N(C(=O)C(C)C)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC(C(CCCN)C1=CNC2=CC=CC=C21)(C(=O)O)N(C(=O)C(C)C)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H35N5O6S/c1-4-24(33)30-27(26(35)36,22(14-10-16-28)21-17-29-23-15-9-8-13-20(21)23)32(25(34)18(2)3)31-39(37,38)19-11-6-5-7-12-19/h5-9,11-13,15,17-18,22,29,31H,4,10,14,16,28H2,1-3H3,(H,30,33)(H,35,36)