1-[(1-oxidanyl-1-oxidanylidene-2-phenyl-pentan-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-pentan-2-yl)-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl-methyl]amino]piperazine-2-carboxylic acid Openeye Name: 1-[(1-carboxy-1-phenyl-butyl)-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl-methyl]amino]piperazine-2-carboxylic acid CAS Name: 1-[(1-hydroxy-1-oxo-2-phenylpentan-2-yl)-[[(1-hydroxy-1-oxopropan-2-yl)thio]-phenylmethyl]amino]-2-piperazinecarboxylic acid IUPAC Name: 1-[(1-hydroxy-1-oxo-2-phenylpentan-2-yl)-[(1-hydroxy-1-oxopropan-2-yl)sulfanyl-phenylmethyl]amino]piperazine-2-carboxylic acid Traditional Name: 1-[(1-carboxy-1-phenyl-butyl)-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-phenyl-methyl]amino]piperazine-2-carboxylic acid Formula: C26H33N3O6S MolecularWeight: 515.62172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O6S/c1-3-14-26(25(34)35,20-12-8-5-9-13-20)29(28-16-15-27-17-21(28)24(32)33)22(36-18(2)23(30)31)19-10-6-4-7-11-19/h4-13,18,21-22,27H,3,14-17H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)