2-(2-acetamidoethanoylamino)-3-(4-methoxyphenyl)sulfonyl-propanoic acid

Systemtic Name: 2-(2-acetamidoethanoylamino)-3-(4-methoxyphenyl)sulfonyl-propanoic acid Openeye Name: 2-[(2-acetamidoacetyl)amino]-3-(4-methoxyphenyl)sulfonyl-propanoic acid CAS Name: 2-[(2-acetamido-1-oxoethyl)amino]-3-(4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 2-[(2-acetamidoacetyl)amino]-3-(4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 2-[(2-acetamidoacetyl)amino]-3-(4-methoxyphenyl)sulfonyl-propionic acid Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O7S/c1-9(17)15-7-13(18)16-12(14(19)20)8-24(21,22)11-5-3-10(23-2)4-6-11/h3-6,12H,7-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)