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

Systemtic Name: 6-azanyl-2-[[3-(1H-indol-3-yl)-2-[(4-methylphenyl)carbonyl-piperidin-4-ylcarbonyl-amino]butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-methylbenzoyl)-(piperidine-4-carbonyl)amino]butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[[(4-methylphenyl)-oxomethyl]-[oxo(4-piperidinyl)methyl]amino]-1-oxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[(4-methylbenzoyl)-(piperidine-4-carbonyl)amino]butanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[3-(1H-indol-3-yl)-2-[isonipecotoyl(p-toluoyl)amino]butanoyl]amino]hexanoic acid Formula: C32H41N5O5 MolecularWeight: 575.69844

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H41N5O5/c1-20-10-12-22(13-11-20)30(39)37(31(40)23-14-17-34-18-15-23)28(29(38)36-27(32(41)42)9-5-6-16-33)21(2)25-19-35-26-8-4-3-7-24(25)26/h3-4,7-8,10-13,19,21,23,27-28,34-35H,5-6,9,14-18,33H2,1-2H3,(H,36,38)(H,41,42)