(2S)-2-[(4-methoxyphenyl)sulfonylamino]-5-(methylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-5-(methylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-5-(methylamino)-5-oxo-pentanoic acid CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-5-(methylamino)-5-oxopentanoic acid IUPAC Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-5-(methylamino)-5-oxopentanoic acid Traditional Name: (2S)-5-keto-2-[(4-methoxyphenyl)sulfonylamino]-5-(methylamino)valeric acid Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O6S/c1-14-12(16)8-7-11(13(17)18)15-22(19,20)10-5-3-9(21-2)4-6-10/h3-6,11,15H,7-8H2,1-2H3,(H,14,16)(H,17,18)/t11-/m0/s1