3-methyl-2-[2-(phenylsulfonylamino)ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(phenylsulfonylamino)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(benzenesulfonamido)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(benzenesulfonamido)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(benzenesulfonamido)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(benzenesulfonamido)acetyl]amino]-3-methyl-butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CNS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CNS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18N2O5S/c1-9(2)12(13(17)18)15-11(16)8-14-21(19,20)10-6-4-3-5-7-10/h3-7,9,12,14H,8H2,1-2H3,(H,15,16)(H,17,18)