3,5-bis[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl propanoate; tert-butyl carbamate

Systemtic Name: 3,5-bis[3,5-bis(oxidanylidene)piperazin-1-yl]pentyl propanoate; tert-butyl carbamate Openeye Name: 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl propanoate; tert-butyl carbamate CAS Name: carbamic acid tert-butyl ester; propanoic acid 3,5-bis(3,5-dioxo-1-piperazinyl)pentyl ester IUPAC Name: 3,5-bis(3,5-dioxopiperazin-1-yl)pentyl propanoate; tert-butyl carbamate Traditional Name: carbamic acid tert-butyl ester; propionic acid 3,5-bis(3,5-diketopiperazino)pentyl ester Formula: C21H35N5O8 MolecularWeight: 485.5313

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCC(CCN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.CC(C)(C)OC(=O)N

Isomeric SMILES

CCC(=O)OCCC(CCN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.CC(C)(C)OC(=O)N

InChI

InChI=1S/C16H24N4O6.C5H11NO2/c1-2-16(25)26-6-4-11(20-9-14(23)18-15(24)10-20)3-5-19-7-12(21)17-13(22)8-19;1-5(2,3)8-4(6)7/h11H,2-10H2,1H3,(H,17,21,22)(H,18,23,24);1-3H3,(H2,6,7)