methyl 2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)methylcarbamoyl]-4H-1,2-oxazol-5-yl]ethanoate

Systemtic Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)methylcarbamoyl]-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)methylcarbamoyl]-4H-isoxazol-5-yl]acetate CAS Name: 2-[3-(3-carbamimidoylphenyl)-5-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-4H-isoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-[(4-carbamimidoylphenyl)methylcarbamoyl]-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[5-[(4-amidinobenzyl)carbamoyl]-3-(3-amidinophenyl)-2-isoxazolin-5-yl]acetic acid methyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H24N6O4/c1-31-18(29)11-22(21(30)27-12-13-5-7-14(8-6-13)19(23)24)10-17(28-32-22)15-3-2-4-16(9-15)20(25)26/h2-9H,10-12H2,1H3,(H3,23,24)(H3,25,26)(H,27,30)