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

Systemtic Name: 2-[[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C24H26FN3O4 MolecularWeight: 439.479343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)F

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)F

InChI

InChI=1S/C24H26FN3O4/c1-14(2)21(23(30)26-18(24(31)32)11-15-7-5-4-6-8-15)27-22(29)20-13-16-12-17(25)9-10-19(16)28(20)3/h4-10,12-14,18,21H,11H2,1-3H3,(H,26,30)(H,27,29)(H,31,32)