3-[2-(4-carbamimidoyl-2-oxidanylidene-piperazin-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(4-carbamimidoyl-2-oxidanylidene-piperazin-1-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(4-carbamimidoyl-2-oxo-piperazin-1-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(4-carbamimidoyl-2-oxo-1-piperazinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-carbamimidoyl-2-oxopiperazin-1-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(4-amidino-2-keto-piperazino)acetyl]amino]benzoic acid Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=N)N)CC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C(=N)N)CC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17N5O4/c15-14(16)19-5-4-18(12(21)8-19)7-11(20)17-10-3-1-2-9(6-10)13(22)23/h1-3,6H,4-5,7-8H2,(H3,15,16)(H,17,20)(H,22,23)