3-(4-methoxyphenyl)sulfonyl-2-[2-(2-phenylethanoylamino)ethanoylamino]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-2-[2-(2-phenylethanoylamino)ethanoylamino]propanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfonyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]propanoic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-2-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl]amino]propanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]propanoic acid Traditional Name: 3-(4-methoxyphenyl)sulfonyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]propionic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)O)NC(=O)CNC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)O)NC(=O)CNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O7S/c1-29-15-7-9-16(10-8-15)30(27,28)13-17(20(25)26)22-19(24)12-21-18(23)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)