methyl 2-[[3-acetamido-2,4-bis(oxidanyl)-5-oxidanylidene-pentyl]-phenylmethoxycarbonyl-amino]ethanoate

Systemtic Name: methyl 2-[[3-acetamido-2,4-bis(oxidanyl)-5-oxidanylidene-pentyl]-phenylmethoxycarbonyl-amino]ethanoate Openeye Name: methyl 2-[(3-acetamido-2,4-dihydroxy-5-oxo-pentyl)-benzyloxycarbonyl-amino]acetate CAS Name: 2-[(3-acetamido-2,4-dihydroxy-5-oxopentyl)-phenylmethoxycarbonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[(3-acetamido-2,4-dihydroxy-5-oxopentyl)-phenylmethoxycarbonylamino]acetate Traditional Name: 2-[(3-acetamido-2,4-dihydroxy-5-keto-pentyl)-carbobenzoxy-amino]acetic acid methyl ester Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(CN(CC(=O)OC)C(=O)OCC1=CC=CC=C1)O)C(C=O)O

Isomeric SMILES

CC(=O)NC(C(CN(CC(=O)OC)C(=O)OCC1=CC=CC=C1)O)C(C=O)O

InChI

InChI=1S/C18H24N2O8/c1-12(22)19-17(15(24)10-21)14(23)8-20(9-16(25)27-2)18(26)28-11-13-6-4-3-5-7-13/h3-7,10,14-15,17,23-24H,8-9,11H2,1-2H3,(H,19,22)