1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methyl-pentanoyl]proline Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC(C)C)C(=O)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC(C)C)C(=O)N3CCCC3C(=O)O)C

InChI

InChI=1S/C22H29N3O4/c1-13(2)10-16(21(27)25-9-5-6-18(25)22(28)29)23-20(26)19-12-15-11-14(3)7-8-17(15)24(19)4/h7-8,11-13,16,18H,5-6,9-10H2,1-4H3,(H,23,26)(H,28,29)