3-[2-[(2-acetamido-5-methoxycarbonyl-phenyl)-carbamimidoyl-amino]ethoxy]propanoic acid

Systemtic Name: 3-[2-[(2-acetamido-5-methoxycarbonyl-phenyl)-carbamimidoyl-amino]ethoxy]propanoic acid Openeye Name: 3-[2-(2-acetamido-N-carbamimidoyl-5-methoxycarbonyl-anilino)ethoxy]propanoic acid CAS Name: 3-[2-(2-acetamido-N-carbamimidoyl-5-methoxycarbonylanilino)ethoxy]propanoic acid IUPAC Name: 3-[2-(2-acetamido-N-carbamimidoyl-5-methoxycarbonylanilino)ethoxy]propanoic acid Traditional Name: 3-[2-(2-acetamido-N-amidino-5-carbomethoxy-anilino)ethoxy]propionic acid Formula: C16H22N4O6 MolecularWeight: 366.36908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)N(CCOCCC(=O)O)C(=N)N

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC)N(CCOCCC(=O)O)C(=N)N

InChI

InChI=1S/C16H22N4O6/c1-10(21)19-12-4-3-11(15(24)25-2)9-13(12)20(16(17)18)6-8-26-7-5-14(22)23/h3-4,9H,5-8H2,1-2H3,(H3,17,18)(H,19,21)(H,22,23)