1-[2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(5,6-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5,6-dimethoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]proline Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC3=CC(=C(C=C3N2C)OC)OC

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC3=CC(=C(C=C3N2C)OC)OC

InChI

InChI=1S/C22H29N3O6/c1-12(2)19(21(27)25-8-6-7-14(25)22(28)29)23-20(26)16-9-13-10-17(30-4)18(31-5)11-15(13)24(16)3/h9-12,14,19H,6-8H2,1-5H3,(H,23,26)(H,28,29)