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

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-3-methyl-butyric acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-17(2,9-15(23)24)20-14(22)8-12-7-13(21-25-12)10-3-5-11(6-4-10)16(18)19/h3-6,12H,7-9H2,1-2H3,(H3,18,19)(H,20,22)(H,23,24)