1-[(1-oxidanyl-1-oxidanylidene-octan-2-yl)-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl-methyl]amino]piperazine-2-carboxylic acid

Systemtic Name: 1-[(1-oxidanyl-1-oxidanylidene-octan-2-yl)-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl-methyl]amino]piperazine-2-carboxylic acid Openeye Name: 1-[1-carboxyheptyl-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl-methyl]amino]piperazine-2-carboxylic acid CAS Name: 1-[(1-hydroxy-1-oxooctan-2-yl)-[[(1-hydroxy-1-oxopropan-2-yl)thio]-phenylmethyl]amino]-2-piperazinecarboxylic acid IUPAC Name: 1-[(1-hydroxy-1-oxooctan-2-yl)-[(1-hydroxy-1-oxopropan-2-yl)sulfanyl-phenylmethyl]amino]piperazine-2-carboxylic acid Traditional Name: 1-[1-carboxyheptyl-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-phenyl-methyl]amino]piperazine-2-carboxylic acid Formula: C23H35N3O6S MolecularWeight: 481.6055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)N(C(C1=CC=CC=C1)SC(C)C(=O)O)N2CCNCC2C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)N(C(C1=CC=CC=C1)SC(C)C(=O)O)N2CCNCC2C(=O)O

InChI

InChI=1S/C23H35N3O6S/c1-3-4-5-9-12-18(22(29)30)26(25-14-13-24-15-19(25)23(31)32)20(33-16(2)21(27)28)17-10-7-6-8-11-17/h6-8,10-11,16,18-20,24H,3-5,9,12-15H2,1-2H3,(H,27,28)(H,29,30)(H,31,32)