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

Systemtic Name: 2-(aminomethyl)-2-azanyl-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxidanylidene-butanoate hydrochloride Openeye Name: 2-amino-2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-3-oxo-butanoate hydrochloride CAS Name: 2-amino-2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-3-oxobutanoate hydrochloride IUPAC Name: 2-amino-2-(aminomethyl)-4-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-3-oxobutanoate hydrochloride Traditional Name: 4-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]-2-amino-2-(aminomethyl)-3-keto-butyrate hydrochloride Formula: C15H19ClN5O4- MolecularWeight: 368.79546

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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-])N.Cl

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)C(CN)(C(=O)[O-])N.Cl

InChI

InChI=1S/C15H19N5O4.ClH/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;/h1-4,10H,5-7,16,19H2,(H3,17,18)(H,22,23);1H/p-1