2-azanyl-3-[(2,2,5,5-tetramethyl-1-oxidanidyl-pyrrol-3-yl)methylsulfanyl]propanoate

Systemtic Name: 2-azanyl-3-[(2,2,5,5-tetramethyl-1-oxidanidyl-pyrrol-3-yl)methylsulfanyl]propanoate Openeye Name: 2-amino-3-[(2,2,5,5-tetramethyl-1-oxido-pyrrol-3-yl)methylsulfanyl]propanoate CAS Name: 2-amino-3-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolyl)methylthio]propanoate IUPAC Name: 2-amino-3-[(2,2,5,5-tetramethyl-1-oxidopyrrol-3-yl)methylsulfanyl]propanoate Traditional Name: 2-amino-3-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolin-3-yl)methylthio]propionate Formula: C12H20N2O3S-2 MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(N1[O-])(C)C)CSCC(C(=O)[O-])N)C

Isomeric SMILES

CC1(C=C(C(N1[O-])(C)C)CSCC(C(=O)[O-])N)C

InChI

InChI=1S/C12H21N2O3S/c1-11(2)5-8(12(3,4)14(11)17)6-18-7-9(13)10(15)16/h5,9H,6-7,13H2,1-4H3,(H,15,16)/q-1/p-1