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

Systemtic Name: 2-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-methyl-butyric acid Formula: C18H22FN3O4 MolecularWeight: 363.383383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O4/c1-9(2)15(18(25)26)21-16(23)10(3)20-17(24)14-8-11-7-12(19)5-6-13(11)22(14)4/h5-10,15H,1-4H3,(H,20,24)(H,21,23)(H,25,26)