3-[[3-(2-azanylethylcarbamoyl)furan-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[[3-(2-azanylethylcarbamoyl)furan-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 3-[[3-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 3-[[[3-[(2-aminoethylamino)-oxomethyl]-2-furanyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 3-[[3-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 3-[[3-(2-aminoethylcarbamoyl)-2-furoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=C(C=CO2)C(=O)NCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=C(C=CO2)C(=O)NCCN)C(=O)O

InChI

InChI=1S/C17H20N4O7S/c18-7-8-19-15(22)12-6-9-28-14(12)16(23)20-10-13(17(24)25)21-29(26,27)11-4-2-1-3-5-11/h1-6,9,13,21H,7-8,10,18H2,(H,19,22)(H,20,23)(H,24,25)