(phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-3-(tert-butoxycarbonylamino)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(4-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(tert-butoxycarbonylamino)-2-(tosylamino)propionic acid benzyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-16-10-12-18(13-11-16)31(27,28)24-19(14-23-21(26)30-22(2,3)4)20(25)29-15-17-8-6-5-7-9-17/h5-13,19,24H,14-15H2,1-4H3,(H,23,26)/t19-/m0/s1