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

Systemtic Name: 2-[3-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-[3-(4-carbamimidoylanilino)-3-oxopropyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-[3-(4-carbamimidoylanilino)-3-oxopropyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[3-[3-(4-amidinoanilino)-3-keto-propyl]-2-keto-piperazino]acetic acid Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1)CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C(N1)CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C16H21N5O4/c17-15(18)10-1-3-11(4-2-10)20-13(22)6-5-12-16(25)21(8-7-19-12)9-14(23)24/h1-4,12,19H,5-9H2,(H3,17,18)(H,20,22)(H,23,24)