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

Systemtic Name: 1-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]proline Formula: C20H24FN3O4 MolecularWeight: 389.420663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O4/c1-11(2)17(19(26)24-8-4-5-15(24)20(27)28)22-18(25)16-10-12-9-13(21)6-7-14(12)23(16)3/h6-7,9-11,15,17H,4-5,8H2,1-3H3,(H,22,25)(H,27,28)