tert-butyl 2-[4-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]-2-oxidanylidene-piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl]-2-oxidanylidene-piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidine-5-carbonyl]-2-oxo-piperazin-1-yl]acetate CAS Name: 2-[4-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]-2-oxo-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]-2-oxopiperazin-1-yl]acetate Traditional Name: 2-[4-[3-(4-amidinophenyl)-2-keto-oxazolidine-5-carbonyl]-2-keto-piperazino]acetic acid tert-butyl ester Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1=O)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1=O)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H27N5O6/c1-21(2,3)32-17(28)12-24-8-9-25(11-16(24)27)19(29)15-10-26(20(30)31-15)14-6-4-13(5-7-14)18(22)23/h4-7,15H,8-12H2,1-3H3,(H3,22,23)