(phenylmethyl) 4-oxidanylidene-4-[2,3,4,5-tetrakis(oxidanyl)heptylamino]butanoate

Systemtic Name: (phenylmethyl) 4-oxidanylidene-4-[2,3,4,5-tetrakis(oxidanyl)heptylamino]butanoate Openeye Name: benzyl 4-oxo-4-(2,3,4,5-tetrahydroxyheptylamino)butanoate CAS Name: 4-oxo-4-(2,3,4,5-tetrahydroxyheptylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxo-4-(2,3,4,5-tetrahydroxyheptylamino)butanoate Traditional Name: 4-keto-4-(2,3,4,5-tetrahydroxyheptylamino)butyric acid benzyl ester Formula: C18H27NO7 MolecularWeight: 369.40948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(CNC(=O)CCC(=O)OCC1=CC=CC=C1)O)O)O)O

Isomeric SMILES

CCC(C(C(C(CNC(=O)CCC(=O)OCC1=CC=CC=C1)O)O)O)O

InChI

InChI=1S/C18H27NO7/c1-2-13(20)17(24)18(25)14(21)10-19-15(22)8-9-16(23)26-11-12-6-4-3-5-7-12/h3-7,13-14,17-18,20-21,24-25H,2,8-11H2,1H3,(H,19,22)