[2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-[(3-fluoro-4-methyl-phenyl)methylamino]-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2-furoylamino)-3-methyl-butyric acid [2-[(3-fluoro-4-methyl-benzyl)amino]-2-keto-ethyl] ester Formula: C20H23FN2O5 MolecularWeight: 390.405423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CO2)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2)F

InChI

InChI=1S/C20H23FN2O5/c1-12(2)18(23-19(25)16-5-4-8-27-16)20(26)28-11-17(24)22-10-14-7-6-13(3)15(21)9-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,24)(H,23,25)/t18-/m0/s1