2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)carbamoyl]-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(4-carbamimidoylanilino)-oxomethyl]-3-(3-carbamimidoylphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)carbamoyl]-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(3-amidinophenyl)-5-[(4-amidinophenyl)carbamoyl]-2-isoxazolin-5-yl]acetic acid Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)O)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

C1C(=NOC1(CC(=O)O)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C20H20N6O4/c21-17(22)11-4-6-14(7-5-11)25-19(29)20(10-16(27)28)9-15(26-30-20)12-2-1-3-13(8-12)18(23)24/h1-8H,9-10H2,(H3,21,22)(H3,23,24)(H,25,29)(H,27,28)