3-[2-[[2-azanyl-3-methyl-4-(2-phenylethanoyloxy)butanoyl]amino]propanoylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[2-[[2-azanyl-3-methyl-4-(2-phenylethanoyloxy)butanoyl]amino]propanoylamino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[2-[[2-amino-3-methyl-4-(2-phenylacetyl)oxy-butanoyl]amino]propanoylamino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[2-[[2-amino-3-methyl-1-oxo-4-(1-oxo-2-phenylethoxy)butyl]amino]-1-oxopropyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[2-[[2-amino-3-methyl-4-(2-phenylacetyl)oxybutanoyl]amino]propanoylamino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[2-[[2-amino-3-methyl-4-(2-phenylacetyl)oxy-butanoyl]amino]propanoylamino]-5-fluoro-4-keto-valeric acid Formula: C21H28FN3O7 MolecularWeight: 453.461323

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)CC1=CC=CC=C1)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CF)N

Isomeric SMILES

CC(COC(=O)CC1=CC=CC=C1)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CF)N

InChI

InChI=1S/C21H28FN3O7/c1-12(11-32-18(29)8-14-6-4-3-5-7-14)19(23)21(31)24-13(2)20(30)25-15(9-17(27)28)16(26)10-22/h3-7,12-13,15,19H,8-11,23H2,1-2H3,(H,24,31)(H,25,30)(H,27,28)