5-fluoranyl-3-[[3-methyl-2-[(1-methyl-3-phenethyl-indol-2-yl)carbonylamino]butanoyl]amino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-fluoranyl-3-[[3-methyl-2-[(1-methyl-3-phenethyl-indol-2-yl)carbonylamino]butanoyl]amino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-fluoro-3-[[3-methyl-2-[(1-methyl-3-phenethyl-indole-2-carbonyl)amino]butanoyl]amino]-4-oxo-pentanoic acid CAS Name: 5-fluoro-3-[[3-methyl-2-[[(1-methyl-3-phenethyl-2-indolyl)-oxomethyl]amino]-1-oxobutyl]amino]-4-oxopentanoic acid IUPAC Name: 5-fluoro-3-[[3-methyl-2-[(1-methyl-3-phenethylindole-2-carbonyl)amino]butanoyl]amino]-4-oxopentanoic acid Traditional Name: 5-fluoro-4-keto-3-[[3-methyl-2-[(1-methyl-3-phenethyl-indole-2-carbonyl)amino]butanoyl]amino]valeric acid Formula: C28H32FN3O5 MolecularWeight: 509.569183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)C1=C(C2=CC=CC=C2N1C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)C1=C(C2=CC=CC=C2N1C)CCC3=CC=CC=C3

InChI

InChI=1S/C28H32FN3O5/c1-17(2)25(27(36)30-21(15-24(34)35)23(33)16-29)31-28(37)26-20(14-13-18-9-5-4-6-10-18)19-11-7-8-12-22(19)32(26)3/h4-12,17,21,25H,13-16H2,1-3H3,(H,30,36)(H,31,37)(H,34,35)