4-fluoranyl-3-[[methyl-[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate

Systemtic Name: 4-fluoranyl-3-[[methyl-[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]benzoate Openeye Name: 3-[[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]-methyl-amino]methyl]-4-fluoro-benzoate CAS Name: 4-fluoro-3-[[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-methylamino]methyl]benzoate IUPAC Name: 4-fluoro-3-[[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]-methylamino]methyl]benzoate Traditional Name: 3-[[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]-methyl-amino]methyl]-4-fluoro-benzoate Formula: C20H20FN2O6- MolecularWeight: 403.381003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)C(=O)[O-])F)C(=O)C(CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)C(=O)[O-])F)C(=O)C(CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21FN2O6/c1-23(10-15-9-14(19(26)27)7-8-16(15)21)18(25)17(11-24)22-20(28)29-12-13-5-3-2-4-6-13/h2-9,17,24H,10-12H2,1H3,(H,22,28)(H,26,27)/p-1