3-[2-[4-[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[4-[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-oxo-piperazin-1-yl]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[4-[4-[(E)-amino(hydroxyimino)methyl]phenyl]-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-oxopiperazin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[4-[4-[(E)-aminocarbohydroximoyl]phenyl]-2-keto-piperazino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C21H24N6O5 MolecularWeight: 440.45246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C(=NO)N)CC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)/C(=N\O)/N)CC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H24N6O5/c22-21(25-32)14-3-5-16(6-4-14)26-8-9-27(19(29)13-26)12-18(28)24-17(10-20(30)31)15-2-1-7-23-11-15/h1-7,11,17,32H,8-10,12-13H2,(H2,22,25)(H,24,28)(H,30,31)