(2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanamide

Systemtic Name: (2S)-6-[[(2S)-3-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanamide Openeye Name: (2S)-6-[[(2S)-2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanamide CAS Name: (2S)-6-[[(2S)-2-(benzenesulfonamido)-3-(1H-indol-3-yl)-1-oxopropyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanamide IUPAC Name: (2S)-6-[[(2S)-2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoyl]amino]-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanamide Traditional Name: (2S)-6-[[(2S)-2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoyl]amino]-2-[isobutyl(tosyl)amino]hexanamide Formula: C34H43N5O6S2 MolecularWeight: 681.86512

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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)C(CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C34H43N5O6S2/c1-24(2)23-39(47(44,45)28-18-16-25(3)17-19-28)32(33(35)40)15-9-10-20-36-34(41)31(38-46(42,43)27-11-5-4-6-12-27)21-26-22-37-30-14-8-7-13-29(26)30/h4-8,11-14,16-19,22,24,31-32,37-38H,9-10,15,20-21,23H2,1-3H3,(H2,35,40)(H,36,41)/t31-,32-/m0/s1