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

Systemtic Name: 2-[2-[(5-fluoranyl-1-methyl-indol-2-yl)carbonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[(5-fluoro-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-[(5-fluoro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-[(5-fluoro-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3=CC4=C(N3C)C=CC(=C4)F

Isomeric SMILES

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3=CC4=C(N3C)C=CC(=C4)F

InChI

InChI=1S/C24H23FN4O4/c1-13(27-23(31)21-11-14-9-16(25)7-8-20(14)29(21)2)22(30)28-19(24(32)33)10-15-12-26-18-6-4-3-5-17(15)18/h3-9,11-13,19,26H,10H2,1-2H3,(H,27,31)(H,28,30)(H,32,33)