(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate Openeye Name: benzyl 3-[4-(benzenesulfonyloxy)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[4-(benzenesulfonyloxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(benzenesulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(4-besyloxyphenyl)-2-(tert-butoxycarbonylamino)propionic acid benzyl ester Formula: C27H29NO7S MolecularWeight: 511.58666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO7S/c1-27(2,3)34-26(30)28-24(25(29)33-19-21-10-6-4-7-11-21)18-20-14-16-22(17-15-20)35-36(31,32)23-12-8-5-9-13-23/h4-17,24H,18-19H2,1-3H3,(H,28,30)