4-[3-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl]piperazine-2,6-dione; tert-butyl 3-butyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2-oxazetidin-2-ium-2-carboxylate

Systemtic Name: 4-[3-[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl]piperazine-2,6-dione; tert-butyl 3-butyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)-1,2-oxazetidin-2-ium-2-carboxylate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-butyl-4-oxo-oxazetidin-2-ium-2-carboxylate; 4-[3-(3,5-dioxopiperazin-1-yl)pentyl]piperazine-2,6-dione CAS Name: 3-butyl-4-oxo-2-(phenylmethoxycarbonylamino)-2-oxazetidin-2-iumcarboxylic acid tert-butyl ester; 4-[3-(3,5-dioxo-1-piperazinyl)pentyl]piperazine-2,6-dione IUPAC Name: tert-butyl 3-butyl-4-oxo-2-(phenylmethoxycarbonylamino)oxazetidin-2-ium-2-carboxylate; 4-[3-(3,5-dioxopiperazin-1-yl)pentyl]piperazine-2,6-dione Traditional Name: 2-(benzyloxycarbonylamino)-3-butyl-4-keto-oxazetidin-2-ium-2-carboxylic acid tert-butyl ester; 4-[3-(3,5-diketopiperazino)pentyl]piperazine-2,6-quinone Formula: C32H47N6O10+ MolecularWeight: 675.74978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2.CCC(CCN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2

Isomeric SMILES

CCCCC1C(=O)O[N+]1(C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2.CCC(CCN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2

InChI

InChI=1S/C19H26N2O6.C13H20N4O4/c1-5-6-12-15-16(22)27-21(15,18(24)26-19(2,3)4)20-17(23)25-13-14-10-8-7-9-11-14;1-2-9(17-7-12(20)15-13(21)8-17)3-4-16-5-10(18)14-11(19)6-16/h7-11,15H,5-6,12-13H2,1-4H3;9H,2-8H2,1H3,(H,14,18,19)(H,15,20,21)/p+1