2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-piperazin-1-yl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)-3-oxo-piperazin-1-yl]-1-piperidyl]acetic acid CAS Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxo-1-piperazinyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxopiperazin-1-yl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[4-(2-amidino-4-hydroxy-phenyl)-3-keto-piperazino]piperidino]acetic acid Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(C(=O)C2)C3=C(C=C(C=C3)O)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CCC1N2CCN(C(=O)C2)C3=C(C=C(C=C3)O)C(=N)N)CC(=O)O

InChI

InChI=1S/C18H25N5O4/c19-18(20)14-9-13(24)1-2-15(14)23-8-7-22(10-16(23)25)12-3-5-21(6-4-12)11-17(26)27/h1-2,9,12,24H,3-8,10-11H2,(H3,19,20)(H,26,27)