3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-5-methoxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-5-methoxy-5-oxidanylidene-pentanoic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-5-methoxy-5-oxo-pentanoic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-5-methoxy-5-oxopentanoic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-5-methoxy-5-oxopentanoic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-5-keto-5-methoxy-valeric acid Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c1-27-17(26)7-12(6-16(24)25)21-15(23)9-13-8-14(22-28-13)10-2-4-11(5-3-10)18(19)20/h2-5,12-13H,6-9H2,1H3,(H3,19,20)(H,21,23)(H,24,25)