2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxidanylidene-butanoic acid Openeye Name: 2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-3-oxo-butanoic acid CAS Name: 2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-3-oxobutanoic acid IUPAC Name: 2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxobutanoic acid Traditional Name: 4-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]-2-(aminomethyl)-3-keto-butyric acid Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)C(CN)C(=O)O

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)C(CN)C(=O)O

InChI

InChI=1S/C15H18N4O4/c16-7-11(15(21)22)13(20)6-10-5-12(19-23-10)8-1-3-9(4-2-8)14(17)18/h1-4,10-11H,5-7,16H2,(H3,17,18)(H,21,22)