4-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]-2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methoxy]-2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid Openeye Name: 4-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidin-5-yl]methoxy]-2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid CAS Name: 4-[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]methoxy]-2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methoxy]-2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 4-[[3-(4-amidinophenyl)-2-keto-oxazolidin-5-yl]methoxy]-2-(carboxymethyl)-1H-pyrrole-3-carboxylic acid Formula: C18H18N4O7 MolecularWeight: 402.35812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)N1C2=CC=C(C=C2)C(=N)N)COC3=CNC(=C3C(=O)O)CC(=O)O

Isomeric SMILES

C1C(OC(=O)N1C2=CC=C(C=C2)C(=N)N)COC3=CNC(=C3C(=O)O)CC(=O)O

InChI

InChI=1S/C18H18N4O7/c19-16(20)9-1-3-10(4-2-9)22-7-11(29-18(22)27)8-28-13-6-21-12(5-14(23)24)15(13)17(25)26/h1-4,6,11,21H,5,7-8H2,(H3,19,20)(H,23,24)(H,25,26)