2-[[5-(2-azanylethylcarbamoyl)furan-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 2-[[5-(2-azanylethylcarbamoyl)furan-2-yl]carbonylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: 2-[[[5-[(2-aminoethylamino)-oxomethyl]-2-furanyl]-oxomethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: 2-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: 2-[[5-(2-aminoethylcarbamoyl)-2-furoyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C17H20N4O7S MolecularWeight: 424.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)C1=CC=C(O1)C(=O)NCCN)NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)(NC(=O)C1=CC=C(O1)C(=O)NCCN)NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20N4O7S/c1-17(16(24)25,21-29(26,27)11-5-3-2-4-6-11)20-15(23)13-8-7-12(28-13)14(22)19-10-9-18/h2-8,21H,9-10,18H2,1H3,(H,19,22)(H,20,23)(H,24,25)