(4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethyl)sulfinyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethyl)sulfinyl-propanoate Openeye Name: (4-nitrophenyl) 3-benzylsulfinyl-2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethyl)sulfinylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-benzylsulfinyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-benzylsulfinyl-2-(tert-butoxycarbonylamino)propionic acid (4-nitrophenyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS(=O)CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7S/c1-21(2,3)30-20(25)22-18(14-31(28)13-15-7-5-4-6-8-15)19(24)29-17-11-9-16(10-12-17)23(26)27/h4-12,18H,13-14H2,1-3H3,(H,22,25)