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

Systemtic Name: 4-fluoranyl-3-[[[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]-(phenylmethyl)amino]methyl]benzoic acid Openeye Name: 3-[[benzyl-[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]methyl]-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-[[[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 3-[[benzyl-[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]methyl]-4-fluorobenzoic acid Traditional Name: 3-[[benzyl-[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]amino]methyl]-4-fluoro-benzoic acid Formula: C26H25FN2O6 MolecularWeight: 480.484903

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H25FN2O6/c27-22-12-11-20(25(32)33)13-21(22)15-29(14-18-7-3-1-4-8-18)24(31)23(16-30)28-26(34)35-17-19-9-5-2-6-10-19/h1-13,23,30H,14-17H2,(H,28,34)(H,32,33)