1-[3-[[3-(2-carboxy-4-methyl-piperazin-1-yl)-3-oxidanylidene-propyl]disulfanyl]propanoyl]-4-methyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[3-[[3-(2-carboxy-4-methyl-piperazin-1-yl)-3-oxidanylidene-propyl]disulfanyl]propanoyl]-4-methyl-piperazine-2-carboxylic acid Openeye Name: 1-[3-[[3-(2-carboxy-4-methyl-piperazin-1-yl)-3-oxo-propyl]disulfanyl]propanoyl]-4-methyl-piperazine-2-carboxylic acid CAS Name: 1-[3-[[3-(2-carboxy-4-methyl-1-piperazinyl)-3-oxopropyl]disulfanyl]-1-oxopropyl]-4-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-[3-[[3-(2-carboxy-4-methylpiperazin-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-4-methylpiperazine-2-carboxylic acid Traditional Name: 1-[3-[[3-(2-carboxy-4-methyl-piperazino)-3-keto-propyl]disulfanyl]propanoyl]-4-methyl-piperazine-2-carboxylic acid Formula: C18H30N4O6S2 MolecularWeight: 462.584

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C(=O)O)C(=O)CCSSCCC(=O)N2CCN(CC2C(=O)O)C

Isomeric SMILES

CN1CCN(C(C1)C(=O)O)C(=O)CCSSCCC(=O)N2CCN(CC2C(=O)O)C

InChI

InChI=1S/C18H30N4O6S2/c1-19-5-7-21(13(11-19)17(25)26)15(23)3-9-29-30-10-4-16(24)22-8-6-20(2)12-14(22)18(27)28/h13-14H,3-12H2,1-2H3,(H,25,26)(H,27,28)