4-fluoranyl-3-[[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]-phenethyl-amino]methyl]benzoic acid

Systemtic Name: 4-fluoranyl-3-[[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]-phenethyl-amino]methyl]benzoic acid Openeye Name: 3-[[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]-phenethyl-amino]methyl]-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-[[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-phenethylamino]methyl]benzoic acid IUPAC Name: 4-fluoro-3-[[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]-phenethylamino]methyl]benzoic acid Traditional Name: 3-[[[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]-phenethyl-amino]methyl]-4-fluoro-benzoic acid Formula: C27H27FN2O6 MolecularWeight: 494.511483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=C(C=CC(=C2)C(=O)O)F)C(=O)C(CO)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=C(C=CC(=C2)C(=O)O)F)C(=O)C(CO)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27FN2O6/c28-23-12-11-21(26(33)34)15-22(23)16-30(14-13-19-7-3-1-4-8-19)25(32)24(17-31)29-27(35)36-18-20-9-5-2-6-10-20/h1-12,15,24,31H,13-14,16-18H2,(H,29,35)(H,33,34)