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

Systemtic Name: 2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butyric acid Formula: C20H26FN3O4 MolecularWeight: 391.436543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)F

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)F

InChI

InChI=1S/C20H26FN3O4/c1-10(2)16(19(26)23-17(11(3)4)20(27)28)22-18(25)15-9-12-8-13(21)6-7-14(12)24(15)5/h6-11,16-17H,1-5H3,(H,22,25)(H,23,26)(H,27,28)