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

Systemtic Name: 2-(aminomethyl)-2-azanyl-4-[5-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-oxidanylidene-butanoic acid Openeye Name: 2-amino-2-(aminomethyl)-4-[5-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-3-yl]-3-oxo-butanoic acid CAS Name: 2-amino-2-(aminomethyl)-4-[5-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-3-yl]-3-oxobutanoic acid IUPAC Name: 2-amino-2-(aminomethyl)-4-[5-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-oxobutanoic acid Traditional Name: 4-[5-(4-amidinophenyl)-2-isoxazolin-3-yl]-2-amino-2-(aminomethyl)-3-keto-butyric acid Formula: C15H19N5O4 MolecularWeight: 333.34246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1CC(=O)C(CN)(C(=O)O)N)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1C(ON=C1CC(=O)C(CN)(C(=O)O)N)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C15H19N5O4/c16-7-15(19,14(22)23)12(21)6-10-5-11(24-20-10)8-1-3-9(4-2-8)13(17)18/h1-4,11H,5-7,16,19H2,(H3,17,18)(H,22,23)