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

Systemtic Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-[[5-(2-sulfamoylphenyl)pyridin-2-yl]carbamoyl]-4H-1,2-oxazol-5-yl]ethanoate Openeye Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-[[5-(2-sulfamoylphenyl)-2-pyridyl]carbamoyl]-4H-isoxazol-5-yl]acetate CAS Name: 2-[3-(3-carbamimidoylphenyl)-5-[oxo-[[5-(2-sulfamoylphenyl)-2-pyridinyl]amino]methyl]-4H-isoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-carbamimidoylphenyl)-5-[[5-(2-sulfamoylphenyl)pyridin-2-yl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate Traditional Name: 2-[3-(3-amidinophenyl)-5-[[5-(2-sulfamoylphenyl)-2-pyridyl]carbamoyl]-2-isoxazolin-5-yl]acetic acid methyl ester Formula: C25H24N6O6S MolecularWeight: 536.55966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=NC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

COC(=O)CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=NC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C25H24N6O6S/c1-36-22(32)13-25(12-19(31-37-25)15-5-4-6-16(11-15)23(26)27)24(33)30-21-10-9-17(14-29-21)18-7-2-3-8-20(18)38(28,34)35/h2-11,14H,12-13H2,1H3,(H3,26,27)(H2,28,34,35)(H,29,30,33)