3-methyl-2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]pentanoic acid CAS Name: 3-methyl-2-[[oxo-[[(E)-2-phenylprop-1-enyl]sulfonylamino]methyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]pentanoic acid Traditional Name: 3-methyl-2-[[(E)-2-phenylprop-1-enyl]sulfonylcarbamoylamino]valeric acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)NS(=O)(=O)C=C(C)C1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)NS(=O)(=O)/C=C(\C)/C1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5S/c1-4-11(2)14(15(19)20)17-16(21)18-24(22,23)10-12(3)13-8-6-5-7-9-13/h5-11,14H,4H2,1-3H3,(H,19,20)(H2,17,18,21)/b12-10+