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

Systemtic Name: dipropan-2-yl (2S,4R)-2-[(4-azanyl-3-propyl-phenyl)carbonylamino]-4-fluoranyl-pentanedioate Openeye Name: diisopropyl (2S,4R)-2-[(4-amino-3-propyl-benzoyl)amino]-4-fluoro-pentanedioate CAS Name: (2S,4R)-2-[[(4-amino-3-propylphenyl)-oxomethyl]amino]-4-fluoropentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4R)-2-[(4-amino-3-propylbenzoyl)amino]-4-fluoropentanedioate Traditional Name: (2S,4R)-2-[(4-amino-3-propyl-benzoyl)amino]-4-fluoro-glutaric acid diisopropyl ester Formula: C21H31FN2O5 MolecularWeight: 410.479643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)NC(CC(C(=O)OC(C)C)F)C(=O)OC(C)C)N

Isomeric SMILES

CCCC1=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/C21H31FN2O5/c1-6-7-14-10-15(8-9-17(14)23)19(25)24-18(21(27)29-13(4)5)11-16(22)20(26)28-12(2)3/h8-10,12-13,16,18H,6-7,11,23H2,1-5H3,(H,24,25)/t16-,18+/m1/s1