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

Systemtic Name: 1-[(1-oxidanyl-1-oxidanylidene-2-phenyl-butan-2-yl)-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl-methyl]amino]piperazine-2-carboxylic acid Openeye Name: 1-[(1-carboxy-1-phenyl-propyl)-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl-methyl]amino]piperazine-2-carboxylic acid CAS Name: 1-[(1-hydroxy-1-oxo-2-phenylbutan-2-yl)-[[(1-hydroxy-1-oxopropan-2-yl)thio]-phenylmethyl]amino]-2-piperazinecarboxylic acid IUPAC Name: 1-[(1-hydroxy-1-oxo-2-phenylbutan-2-yl)-[(1-hydroxy-1-oxopropan-2-yl)sulfanyl-phenylmethyl]amino]piperazine-2-carboxylic acid Traditional Name: 1-[(1-carboxy-1-phenyl-propyl)-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-phenyl-methyl]amino]piperazine-2-carboxylic acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)O)N(C(C2=CC=CC=C2)SC(C)C(=O)O)N3CCNCC3C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)O)N(C(C2=CC=CC=C2)SC(C)C(=O)O)N3CCNCC3C(=O)O

InChI

InChI=1S/C25H31N3O6S/c1-3-25(24(33)34,19-12-8-5-9-13-19)28(27-15-14-26-16-20(27)23(31)32)21(35-17(2)22(29)30)18-10-6-4-7-11-18/h4-13,17,20-21,26H,3,14-16H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)