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

Systemtic Name: 1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-pentanoyl]proline Formula: C21H26FN3O4 MolecularWeight: 403.447243

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4/c1-4-12(2)18(20(27)25-9-5-6-16(25)21(28)29)23-19(26)17-11-13-10-14(22)7-8-15(13)24(17)3/h7-8,10-12,16,18H,4-6,9H2,1-3H3,(H,23,26)(H,28,29)