2-[2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[(5,6-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-[(5,6-dimethoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-methyl-butyric acid Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1=CC2=CC(=C(C=C2N1C)OC)OC

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1=CC2=CC(=C(C=C2N1C)OC)OC

InChI

InChI=1S/C20H27N3O6/c1-10(2)17(20(26)27)22-18(24)11(3)21-19(25)14-7-12-8-15(28-5)16(29-6)9-13(12)23(14)4/h7-11,17H,1-6H3,(H,21,25)(H,22,24)(H,26,27)