2-[3-[6-carbamimidoyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-[6-carbamimidoyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(5-tert-butoxycarbonyl-6-carbamimidoyl-2-pyridyl)-4,5-dihydroisoxazol-5-yl]acetic acid CAS Name: 2-[3-[6-carbamimidoyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyridinyl]-4,5-dihydroisoxazol-5-yl]acetic acid IUPAC Name: 2-[3-[6-carbamimidoyl-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridin-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(6-amidino-5-tert-butoxycarbonyl-2-pyridyl)-2-isoxazolin-5-yl]acetic acid Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(C=C1)C2=NOC(C2)CC(=O)O)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(C=C1)C2=NOC(C2)CC(=O)O)C(=N)N

InChI

InChI=1S/C16H20N4O5/c1-16(2,3)24-15(23)9-4-5-10(19-13(9)14(17)18)11-6-8(25-20-11)7-12(21)22/h4-5,8H,6-7H2,1-3H3,(H3,17,18)(H,21,22)