ethyl 5-methyl-6-[2-[4-[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]hexanoate

Systemtic Name: ethyl 5-methyl-6-[2-[4-[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]hexanoate Openeye Name: ethyl 6-[[2-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-oxo-piperazin-1-yl]acetyl]amino]-5-methyl-hexanoate CAS Name: 6-[[2-[4-[4-[(E)-amino(hydroxyimino)methyl]phenyl]-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-5-methylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-oxopiperazin-1-yl]acetyl]amino]-5-methylhexanoate Traditional Name: 6-[[2-[4-[4-[(E)-aminocarbohydroximoyl]phenyl]-2-keto-piperazino]acetyl]amino]-5-methyl-hexanoic acid ethyl ester Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(C)CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=NO)N

Isomeric SMILES

CCOC(=O)CCCC(C)CNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)/C(=N\O)/N

InChI

InChI=1S/C22H33N5O5/c1-3-32-21(30)6-4-5-16(2)13-24-19(28)14-27-12-11-26(15-20(27)29)18-9-7-17(8-10-18)22(23)25-31/h7-10,16,31H,3-6,11-15H2,1-2H3,(H2,23,25)(H,24,28)