2-(aminomethyl)-6-azanyl-2-(4-carbamimidoylphenoxy)carbonyl-3,6-bis(oxidanylidene)hexanoic acid

Systemtic Name: 2-(aminomethyl)-6-azanyl-2-(4-carbamimidoylphenoxy)carbonyl-3,6-bis(oxidanylidene)hexanoic acid Openeye Name: 6-amino-2-(aminomethyl)-2-(4-carbamimidoylphenoxy)carbonyl-3,6-dioxo-hexanoic acid CAS Name: 6-amino-2-(aminomethyl)-2-[(4-carbamimidoylphenoxy)-oxomethyl]-3,6-dioxohexanoic acid IUPAC Name: 6-amino-2-(aminomethyl)-2-(4-carbamimidoylphenoxy)carbonyl-3,6-dioxohexanoic acid Traditional Name: 2-(4-amidinophenoxy)carbonyl-6-amino-2-(aminomethyl)-3,6-diketo-hexanoic acid Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=N)N)OC(=O)C(CN)(C(=O)CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=N)N)OC(=O)C(CN)(C(=O)CCC(=O)N)C(=O)O

InChI

InChI=1S/C15H18N4O6/c16-7-15(13(22)23,10(20)5-6-11(17)21)14(24)25-9-3-1-8(2-4-9)12(18)19/h1-4H,5-7,16H2,(H2,17,21)(H3,18,19)(H,22,23)