3-[2-(4-carbamimidoylpiperazin-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 3-[2-(4-carbamimidoylpiperazin-1-yl)ethanoylamino]benzoic acid Openeye Name: 3-[[2-(4-carbamimidoylpiperazin-1-yl)acetyl]amino]benzoic acid CAS Name: 3-[[2-(4-carbamimidoyl-1-piperazinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-carbamimidoylpiperazin-1-yl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(4-amidinopiperazino)acetyl]amino]benzoic acid Formula: C14H19N5O3 MolecularWeight: 305.33236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC(=C2)C(=O)O)C(=N)N

InChI

InChI=1S/C14H19N5O3/c15-14(16)19-6-4-18(5-7-19)9-12(20)17-11-3-1-2-10(8-11)13(21)22/h1-3,8H,4-7,9H2,(H3,15,16)(H,17,20)(H,21,22)