(4S)-6-[2,6-bis(chloranyl)phenyl]carbonyloxy-4-(furan-2-ylcarbonylamino)-5-oxidanylidene-hexanoic acid

Systemtic Name: (4S)-6-[2,6-bis(chloranyl)phenyl]carbonyloxy-4-(furan-2-ylcarbonylamino)-5-oxidanylidene-hexanoic acid Openeye Name: (4S)-6-(2,6-dichlorobenzoyl)oxy-4-(furan-2-carbonylamino)-5-oxo-hexanoic acid CAS Name: (4S)-6-[(2,6-dichlorophenyl)-oxomethoxy]-4-[[2-furanyl(oxo)methyl]amino]-5-oxohexanoic acid IUPAC Name: (4S)-6-(2,6-dichlorobenzoyl)oxy-4-(furan-2-carbonylamino)-5-oxohexanoic acid Traditional Name: (4S)-6-(2,6-dichlorobenzoyl)oxy-4-(2-furoylamino)-5-keto-hexanoic acid Formula: C18H15Cl2NO7 MolecularWeight: 428.2202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)OCC(=O)C(CCC(=O)O)NC(=O)C2=CC=CO2)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)OCC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=CO2)Cl

InChI

InChI=1S/C18H15Cl2NO7/c19-10-3-1-4-11(20)16(10)18(26)28-9-13(22)12(6-7-15(23)24)21-17(25)14-5-2-8-27-14/h1-5,8,12H,6-7,9H2,(H,21,25)(H,23,24)/t12-/m0/s1