5-acetamido-6-[2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]ethyl]-4-oxidanyl-2-phenylmethoxy-oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-6-[2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]ethyl]-4-oxidanyl-2-phenylmethoxy-oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-benzyloxy-4-hydroxy-6-[2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]ethyl]tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-4-hydroxy-6-[2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]ethyl]-2-phenylmethoxy-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-4-hydroxy-6-[2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]ethyl]-2-phenylmethoxyoxane-2-carboxylic acid Traditional Name: 5-acetamido-2-benzoxy-4-hydroxy-6-[2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]ethyl]tetrahydropyran-2-carboxylic acid Formula: C23H30N4O8 MolecularWeight: 490.5063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1CCNC(CC2=CN=CN2)C(=O)O)(C(=O)O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1C(CC(OC1CCNC(CC2=CN=CN2)C(=O)O)(C(=O)O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N4O8/c1-14(28)27-20-18(29)10-23(22(32)33,34-12-15-5-3-2-4-6-15)35-19(20)7-8-25-17(21(30)31)9-16-11-24-13-26-16/h2-6,11,13,17-20,25,29H,7-10,12H2,1H3,(H,24,26)(H,27,28)(H,30,31)(H,32,33)