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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O8/c1-3-4-11-35-23(34)27-18(22(33)37-36-15(2)30)12-26-19(31)13-29-10-9-28(14-20(29)32)17-7-5-16(6-8-17)21(24)25/h5-8,18H,3-4,9-14H2,1-2H3,(H3,24,25)(H,26,31)(H,27,34)