2-[2-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[2-[3-(4-carbamimidoylanilino)-3-oxo-propyl]piperazin-1-yl]acetic acid CAS Name: 2-[2-[3-(4-carbamimidoylanilino)-3-oxopropyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[2-[3-(4-carbamimidoylanilino)-3-oxopropyl]piperazin-1-yl]acetic acid Traditional Name: 2-[2-[3-(4-amidinoanilino)-3-keto-propyl]piperazino]acetic acid Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(CN1)CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C16H23N5O3/c17-16(18)11-1-3-12(4-2-11)20-14(22)6-5-13-9-19-7-8-21(13)10-15(23)24/h1-4,13,19H,5-10H2,(H3,17,18)(H,20,22)(H,23,24)