2-azanyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-propanoate; 2-(phenylmethyl)sulfinylethylazanium

Systemtic Name: 2-azanyl-3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-propanoate; 2-(phenylmethyl)sulfinylethylazanium Openeye Name: 2-amino-3-(2-oxido-2-oxo-ethyl)sulfanyl-propanoate; 2-benzylsulfinylethylammonium CAS Name: 2-amino-3-[(2-oxido-2-oxoethyl)thio]propanoate; 2-(phenylmethyl)sulfinylethylammonium IUPAC Name: 2-amino-3-(2-oxido-2-oxoethyl)sulfanylpropanoate; 2-benzylsulfinylethylazanium Traditional Name: 2-amino-3-[(2-keto-2-oxido-ethyl)thio]propionate; 2-benzylsulfinylethylammonium Formula: C23H35N3O6S3 MolecularWeight: 545.7355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)CC[NH3+].C1=CC=C(C=C1)CS(=O)CC[NH3+].C(C(C(=O)[O-])N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)CC[NH3+].C1=CC=C(C=C1)CS(=O)CC[NH3+].C(C(C(=O)[O-])N)SCC(=O)[O-]

InChI

InChI=1S/2C9H13NOS.C5H9NO4S/c2*10-6-7-12(11)8-9-4-2-1-3-5-9;6-3(5(9)10)1-11-2-4(7)8/h2*1-5H,6-8,10H2;3H,1-2,6H2,(H,7,8)(H,9,10)