5-(2-acetamido-6-chloranyl-phenyl)carbonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-(2-acetamido-6-chloranyl-phenyl)carbonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 5-(2-acetamido-6-chloro-benzoyl)oxy-3-(benzyloxycarbonylamino)-4-oxo-pentanoic acid CAS Name: 5-[(2-acetamido-6-chlorophenyl)-oxomethoxy]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-(2-acetamido-6-chlorobenzoyl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 5-(2-acetamido-6-chloro-benzoyl)oxy-3-(benzyloxycarbonylamino)-4-keto-valeric acid Formula: C22H21ClN2O8 MolecularWeight: 476.86374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)OCC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)OCC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H21ClN2O8/c1-13(26)24-16-9-5-8-15(23)20(16)21(30)32-12-18(27)17(10-19(28)29)25-22(31)33-11-14-6-3-2-4-7-14/h2-9,17H,10-12H2,1H3,(H,24,26)(H,25,31)(H,28,29)