2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoyl 2-azanylpropanoate

Systemtic Name: 2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoyl 2-azanylpropanoate Openeye Name: [2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl] 2-aminopropanoate CAS Name: 2-aminopropanoic acid [2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl] ester IUPAC Name: [2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl] 2-aminopropanoate Traditional Name: 2-aminopropionic acid [2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl] ester Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)N

Isomeric SMILES

CC(C(=O)OC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)N

InChI

InChI=1S/C15H18N4O4/c1-8(16)15(21)22-13(20)7-11-6-12(19-23-11)9-2-4-10(5-3-9)14(17)18/h2-5,8,11H,6-7,16H2,1H3,(H3,17,18)