methyl 3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl 3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-3-methyl-butanoate CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-3-methylbutanoate Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-18(2,10-16(24)25-3)21-15(23)9-13-8-14(22-26-13)11-4-6-12(7-5-11)17(19)20/h4-7,13H,8-10H2,1-3H3,(H3,19,20)(H,21,23)