ethanoyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(2-methylpropoxycarbonylamino)propaneperoxoate

Systemtic Name: ethanoyl 3-[2-[4-(4-carbamimidoylphenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(2-methylpropoxycarbonylamino)propaneperoxoate Openeye Name: acetyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(isobutoxycarbonylamino)propaneperoxoate CAS Name: 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-[[2-methylpropoxy(oxo)methyl]amino]propaneperoxoic acid acetyl ester IUPAC Name: acetyl 3-[[2-[4-(4-carbamimidoylphenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(2-methylpropoxycarbonylamino)propaneperoxoate Traditional Name: 3-[[2-[4-(4-amidinophenyl)-2-keto-piperazino]acetyl]amino]-2-(isobutoxycarbonylamino)peroxypropionic acid acetyl ester Formula: C23H32N6O8 MolecularWeight: 520.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)C(=O)OOC(=O)C

Isomeric SMILES

CC(C)COC(=O)NC(CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=N)N)C(=O)OOC(=O)C

InChI

InChI=1S/C23H32N6O8/c1-14(2)13-35-23(34)27-18(22(33)37-36-15(3)30)10-26-19(31)11-29-9-8-28(12-20(29)32)17-6-4-16(5-7-17)21(24)25/h4-7,14,18H,8-13H2,1-3H3,(H3,24,25)(H,26,31)(H,27,34)