dipropan-2-yl (2S,4R)-2-[(4-azanyl-3-methyl-phenyl)carbonylamino]-4-fluoranyl-pentanedioate

Systemtic Name: dipropan-2-yl (2S,4R)-2-[(4-azanyl-3-methyl-phenyl)carbonylamino]-4-fluoranyl-pentanedioate Openeye Name: diisopropyl (2S,4R)-2-[(4-amino-3-methyl-benzoyl)amino]-4-fluoro-pentanedioate CAS Name: (2S,4R)-2-[[(4-amino-3-methylphenyl)-oxomethyl]amino]-4-fluoropentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4R)-2-[(4-amino-3-methylbenzoyl)amino]-4-fluoropentanedioate Traditional Name: (2S,4R)-2-[(4-amino-3-methyl-benzoyl)amino]-4-fluoro-glutaric acid diisopropyl ester Formula: C19H27FN2O5 MolecularWeight: 382.426483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(C(=O)OC(C)C)F)C(=O)OC(C)C)N

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](C[C@H](C(=O)OC(C)C)F)C(=O)OC(C)C)N

InChI

InChI=1S/C19H27FN2O5/c1-10(2)26-18(24)14(20)9-16(19(25)27-11(3)4)22-17(23)13-6-7-15(21)12(5)8-13/h6-8,10-11,14,16H,9,21H2,1-5H3,(H,22,23)/t14-,16+/m1/s1