ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylsulfonylamino)phenyl]propanoate

Systemtic Name: ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(phenylsulfonylamino)phenyl]propanoate Openeye Name: ethyl (2S)-3-[4-(benzenesulfonamido)phenyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[4-(benzenesulfonamido)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[4-(benzenesulfonamido)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[4-(benzenesulfonamido)phenyl]-2-(tert-butoxycarbonylamino)propionic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O6S/c1-5-29-20(25)19(23-21(26)30-22(2,3)4)15-16-11-13-17(14-12-16)24-31(27,28)18-9-7-6-8-10-18/h6-14,19,24H,5,15H2,1-4H3,(H,23,26)/t19-/m0/s1