1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-pentanoyl]proline Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)C

InChI

InChI=1S/C22H29N3O4/c1-5-14(3)19(21(27)25-10-6-7-17(25)22(28)29)23-20(26)18-12-15-11-13(2)8-9-16(15)24(18)4/h8-9,11-12,14,17,19H,5-7,10H2,1-4H3,(H,23,26)(H,28,29)