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

Systemtic Name: (2S)-2-azanyl-3-[(2,2,5,5-tetramethyl-1-oxidanidyl-pyrrol-3-yl)methylsulfanyl]propanoic acid Openeye Name: (2S)-2-amino-3-[(2,2,5,5-tetramethyl-1-oxido-pyrrol-3-yl)methylsulfanyl]propanoic acid CAS Name: (2S)-2-amino-3-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolyl)methylthio]propanoic acid IUPAC Name: (2S)-2-amino-3-[(2,2,5,5-tetramethyl-1-oxidopyrrol-3-yl)methylsulfanyl]propanoic acid Traditional Name: (2S)-2-amino-3-[(2,2,5,5-tetramethyl-1-oxido-3-pyrrolin-3-yl)methylthio]propionic acid Formula: C12H21N2O3S- MolecularWeight: 273.37174

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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)CSC[C@H](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/t9-/m1/s1