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

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]pentanedioic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]pentanedioic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]pentanedioic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]glutaric acid Formula: C17H20N4O6 MolecularWeight: 376.3639

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC(=O)O)CC(=O)O

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)NC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H20N4O6/c18-17(19)10-3-1-9(2-4-10)13-7-12(27-21-13)8-14(22)20-11(5-15(23)24)6-16(25)26/h1-4,11-12H,5-8H2,(H3,18,19)(H,20,22)(H,23,24)(H,25,26)