3-[[2-[(1,3-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanyl-pentanoic acid

Systemtic Name: 3-[[2-[(1,3-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-5-fluoranyl-4-oxidanyl-pentanoic acid Openeye Name: 3-[[2-[(1,3-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-5-fluoro-4-hydroxy-pentanoic acid CAS Name: 3-[[2-[[(1,3-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-5-fluoro-4-hydroxypentanoic acid IUPAC Name: 3-[[2-[(1,3-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-5-fluoro-4-hydroxypentanoic acid Traditional Name: 3-[[2-[(1,3-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-5-fluoro-4-hydroxy-valeric acid Formula: C21H28FN3O5 MolecularWeight: 421.462523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(CF)O

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(CF)O

InChI

InChI=1S/C21H28FN3O5/c1-11(2)18(20(29)23-14(9-17(27)28)16(26)10-22)24-21(30)19-12(3)13-7-5-6-8-15(13)25(19)4/h5-8,11,14,16,18,26H,9-10H2,1-4H3,(H,23,29)(H,24,30)(H,27,28)