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

Systemtic Name: dipropan-2-yl (2S,4R)-2-[(4-azanyl-3-ethyl-phenyl)carbonylamino]-4-fluoranyl-pentanedioate Openeye Name: diisopropyl (2S,4R)-2-[(4-amino-3-ethyl-benzoyl)amino]-4-fluoro-pentanedioate CAS Name: (2S,4R)-2-[[(4-amino-3-ethylphenyl)-oxomethyl]amino]-4-fluoropentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4R)-2-[(4-amino-3-ethylbenzoyl)amino]-4-fluoropentanedioate Traditional Name: (2S,4R)-2-[(4-amino-3-ethyl-benzoyl)amino]-4-fluoro-glutaric acid diisopropyl ester Formula: C20H29FN2O5 MolecularWeight: 396.453063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)NC(CC(C(=O)OC(C)C)F)C(=O)OC(C)C)N

Isomeric SMILES

CCC1=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/C20H29FN2O5/c1-6-13-9-14(7-8-16(13)22)18(24)23-17(20(26)28-12(4)5)10-15(21)19(25)27-11(2)3/h7-9,11-12,15,17H,6,10,22H2,1-5H3,(H,23,24)/t15-,17+/m1/s1