2-[[4-(carboxymethylsulfanylmethyl)-2,5-dimethyl-piperazin-1-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(carboxymethylsulfanylmethyl)-2,5-dimethyl-piperazin-1-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[4-(carboxymethylsulfanylmethyl)-2,5-dimethyl-piperazin-1-yl]methylsulfanyl]acetic acid CAS Name: 2-[[4-[(carboxymethylthio)methyl]-2,5-dimethyl-1-piperazinyl]methylthio]acetic acid IUPAC Name: 2-[[4-(carboxymethylsulfanylmethyl)-2,5-dimethylpiperazin-1-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[4-[(carboxymethylthio)methyl]-2,5-dimethyl-piperazino]methylthio]acetic acid Formula: C12H22N2O4S2 MolecularWeight: 322.44408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1CSCC(=O)O)C)CSCC(=O)O

Isomeric SMILES

CC1CN(C(CN1CSCC(=O)O)C)CSCC(=O)O

InChI

InChI=1S/C12H22N2O4S2/c1-9-3-14(8-20-6-12(17)18)10(2)4-13(9)7-19-5-11(15)16/h9-10H,3-8H2,1-2H3,(H,15,16)(H,17,18)