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

Systemtic Name: 1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-4-methyl-pentanoyl]proline Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4/c1-12(2)9-15(20(27)25-8-4-5-17(25)21(28)29)23-19(26)18-11-13-10-14(22)6-7-16(13)24(18)3/h6-7,10-12,15,17H,4-5,8-9H2,1-3H3,(H,23,26)(H,28,29)