6-azanyl-2-[[3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-piperidin-4-ylcarbonyl-amino]butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-piperidin-4-ylcarbonyl-amino]butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[piperidine-4-carbonyl(p-tolylsulfonyl)amino]butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-[oxo(4-piperidinyl)methyl]amino]-1-oxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonyl-(piperidine-4-carbonyl)amino]butanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[isonipecotoyl(tosyl)amino]butanoyl]amino]hexanoic acid Formula: C31H41N5O6S MolecularWeight: 611.75214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(C(C)C2=CNC3=CC=CC=C32)C(=O)NC(CCCCN)C(=O)O)C(=O)C4CCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(C(C)C2=CNC3=CC=CC=C32)C(=O)NC(CCCCN)C(=O)O)C(=O)C4CCNCC4

InChI

InChI=1S/C31H41N5O6S/c1-20-10-12-23(13-11-20)43(41,42)36(30(38)22-14-17-33-18-15-22)28(29(37)35-27(31(39)40)9-5-6-16-32)21(2)25-19-34-26-8-4-3-7-24(25)26/h3-4,7-8,10-13,19,21-22,27-28,33-34H,5-6,9,14-18,32H2,1-2H3,(H,35,37)(H,39,40)