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

Systemtic Name: 2-(aminomethyl)-2-azanyl-3-[5-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-2-(aminomethyl)-3-[5-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-3-yl]-3-oxo-propanoic acid CAS Name: 2-amino-2-(aminomethyl)-3-[5-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-3-yl]-3-oxopropanoic acid IUPAC Name: 2-amino-2-(aminomethyl)-3-[5-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-oxopropanoic acid Traditional Name: 3-[5-(4-amidinophenyl)-2-isoxazolin-3-yl]-2-amino-2-(aminomethyl)-3-keto-propionic acid Formula: C14H17N5O4 MolecularWeight: 319.31588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4/c15-6-14(18,13(21)22)11(20)9-5-10(23-19-9)7-1-3-8(4-2-7)12(16)17/h1-4,10H,5-6,15,18H2,(H3,16,17)(H,21,22)