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

Systemtic Name: 2-(aminomethyl)-2-azanyl-4-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-oxidanylidene-butanoate Openeye Name: 2-amino-2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)isoxazol-5-yl]-3-oxo-butanoate CAS Name: 2-amino-2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-5-isoxazolyl]-3-oxobutanoate IUPAC Name: 2-amino-2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl]-3-oxobutanoate Traditional Name: 4-[3-(4-amidinophenyl)isoxazol-5-yl]-2-amino-2-(aminomethyl)-3-keto-butyrate Formula: C15H16N5O4- MolecularWeight: 330.31864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)CC(=O)C(CN)(C(=O)[O-])N)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)CC(=O)C(CN)(C(=O)[O-])N)C(=N)N

InChI

InChI=1S/C15H17N5O4/c16-7-15(19,14(22)23)12(21)6-10-5-11(20-24-10)8-1-3-9(4-2-8)13(17)18/h1-5H,6-7,16,19H2,(H3,17,18)(H,22,23)/p-1