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

Systemtic Name: dipropan-2-yl (2S,4R)-2-[(4-azanyl-3-bromanyl-phenyl)carbonylamino]-4-fluoranyl-pentanedioate Openeye Name: diisopropyl (2S,4R)-2-[(4-amino-3-bromo-benzoyl)amino]-4-fluoro-pentanedioate CAS Name: (2S,4R)-2-[[(4-amino-3-bromophenyl)-oxomethyl]amino]-4-fluoropentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4R)-2-[(4-amino-3-bromobenzoyl)amino]-4-fluoropentanedioate Traditional Name: (2S,4R)-2-[(4-amino-3-bromo-benzoyl)amino]-4-fluoro-glutaric acid diisopropyl ester Formula: C18H24BrFN2O5 MolecularWeight: 447.295963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrFN2O5/c1-9(2)26-17(24)13(20)8-15(18(25)27-10(3)4)22-16(23)11-5-6-14(21)12(19)7-11/h5-7,9-10,13,15H,8,21H2,1-4H3,(H,22,23)/t13-,15+/m1/s1