3-[[2-[[4-cyclohexyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-[[4-cyclohexyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-[(4-cyclohexyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-[[(4-cyclohexyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-[(4-cyclohexyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-[(4-cyclohexyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-keto-azetidine-1-sulfonic acid Formula: C22H27N5O8S MolecularWeight: 521.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(C(=O)C2=O)C(=O)NC(C3=CC=CC=C3)C(=O)NC4CN(C4=O)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(C(=O)C2=O)C(=O)NC(C3=CC=CC=C3)C(=O)NC4CN(C4=O)S(=O)(=O)O

InChI

InChI=1S/C22H27N5O8S/c28-18(23-16-13-27(19(16)29)36(33,34)35)17(14-7-3-1-4-8-14)24-22(32)26-12-11-25(20(30)21(26)31)15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H,23,28)(H,24,32)(H,33,34,35)