2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 2-[[(2S)-5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[(2S)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 2-[[(2S)-5-keto-1-tosyl-prolyl]amino]propionic acid Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CCC2=O)C(=O)NC(C)C(=O)O

InChI

InChI=1S/C15H18N2O6S/c1-9-3-5-11(6-4-9)24(22,23)17-12(7-8-13(17)18)14(19)16-10(2)15(20)21/h3-6,10,12H,7-8H2,1-2H3,(H,16,19)(H,20,21)/t10?,12-/m0/s1