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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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