3-(4-methoxyphenyl)sulfonyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-ethanoyl]amino]propanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-3-(4-methoxyphenyl)sulfonyl-propanoic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]propanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-2-phenyl-acetyl]amino]-3-(4-methoxyphenyl)sulfonyl-propionic acid Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)NC(CS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C23H28N2O8S/c1-23(2,3)33-22(29)25-19(15-8-6-5-7-9-15)20(26)24-18(21(27)28)14-34(30,31)17-12-10-16(32-4)11-13-17/h5-13,18-19H,14H2,1-4H3,(H,24,26)(H,25,29)(H,27,28)