(2S,3R)-3-methanoyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid

Systemtic Name: (2S,3R)-3-methanoyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid Openeye Name: (2S,3R)-3-formyl-2-(p-tolylsulfonylamino)pentanoic acid CAS Name: (2S,3R)-3-formyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid IUPAC Name: (2S,3R)-3-formyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid Traditional Name: (2S,3R)-3-formyl-2-(tosylamino)valeric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C=O)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H17NO5S/c1-3-10(8-15)12(13(16)17)14-20(18,19)11-6-4-9(2)5-7-11/h4-8,10,12,14H,3H2,1-2H3,(H,16,17)/t10-,12-/m0/s1