2-(phenylmethoxycarbonylamino)-3-[3-(phenylsulfonyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[3-(phenylsulfonyl)-4,5-dihydro-1,2-oxazol-5-yl]propanoic acid Openeye Name: 3-[3-(benzenesulfonyl)-4,5-dihydroisoxazol-5-yl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[3-(benzenesulfonyl)-4,5-dihydroisoxazol-5-yl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[3-(benzenesulfonyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(3-besyl-2-isoxazolin-5-yl)propionic acid Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1S(=O)(=O)C2=CC=CC=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(ON=C1S(=O)(=O)C2=CC=CC=C2)CC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O7S/c23-19(24)17(21-20(25)28-13-14-7-3-1-4-8-14)11-15-12-18(22-29-15)30(26,27)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2,(H,21,25)(H,23,24)