2-azanyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]propionic acid Formula: C10H19N3O5S2 MolecularWeight: 325.40496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSCC(C(=O)O)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C10H19N3O5S2/c1-20(17,18)13-4-2-12(3-5-13)9(14)7-19-6-8(11)10(15)16/h8H,2-7,11H2,1H3,(H,15,16)