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

Systemtic Name: 2-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-phenyl-propionic acid Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O4/c1-13(20(27)25-17(22(29)30)10-14-6-4-3-5-7-14)24-21(28)19-12-15-11-16(23)8-9-18(15)26(19)2/h3-9,11-13,17H,10H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)