5-[1-(2,6-dimethoxy-4-methyl-phenyl)pentylamino]-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[1-(2,6-dimethoxy-4-methyl-phenyl)pentylamino]-4-(1H-indol-2-ylcarbonylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-[1-(2,6-dimethoxy-4-methyl-phenyl)pentylamino]-4-(1H-indole-2-carbonylamino)-5-oxo-pentanoic acid CAS Name: 5-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-4-[[1H-indol-2-yl(oxo)methyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[1-(2,6-dimethoxy-4-methylphenyl)pentylamino]-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid Traditional Name: 5-[1-(2,6-dimethoxy-4-methyl-phenyl)pentylamino]-4-(1H-indole-2-carbonylamino)-5-keto-valeric acid Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C=C(C=C1OC)C)OC)NC(=O)C(CCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CCCCC(C1=C(C=C(C=C1OC)C)OC)NC(=O)C(CCC(=O)O)NC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C28H35N3O6/c1-5-6-10-20(26-23(36-3)14-17(2)15-24(26)37-4)30-27(34)21(12-13-25(32)33)31-28(35)22-16-18-9-7-8-11-19(18)29-22/h7-9,11,14-16,20-21,29H,5-6,10,12-13H2,1-4H3,(H,30,34)(H,31,35)(H,32,33)