2,2-dimethylpropanoyloxymethyl 3-methyl-2-[(3R,4R)-2-oxidanylidene-3-(2-oxidanylidene-4-phenyl-butyl)-4-sulfanyl-azetidin-1-yl]but-2-enoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-2-[(3R,4R)-2-oxidanylidene-3-(2-oxidanylidene-4-phenyl-butyl)-4-sulfanyl-azetidin-1-yl]but-2-enoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-2-[(3R,4R)-2-oxo-3-(2-oxo-4-phenyl-butyl)-4-sulfanyl-azetidin-1-yl]but-2-enoate CAS Name: 2-[(2R,3R)-2-mercapto-4-oxo-3-(2-oxo-4-phenylbutyl)-1-azetidinyl]-3-methyl-2-butenoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-methyl-2-[(3R,4R)-2-oxo-3-(2-oxo-4-phenylbutyl)-4-sulfanylazetidin-1-yl]but-2-enoate Traditional Name: 2-[(3R,4R)-2-keto-3-(2-keto-4-phenyl-butyl)-4-mercapto-azetidin-1-yl]-3-methyl-but-2-enoic acid pivaloyloxymethyl ester Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCOC(=O)C(C)(C)C)N1C(C(C1=O)CC(=O)CCC2=CC=CC=C2)S)C

Isomeric SMILES

CC(=C(C(=O)OCOC(=O)C(C)(C)C)N1[C@@H]([C@@H](C1=O)CC(=O)CCC2=CC=CC=C2)S)C

InChI

InChI=1S/C24H31NO6S/c1-15(2)19(22(28)30-14-31-23(29)24(3,4)5)25-20(27)18(21(25)32)13-17(26)12-11-16-9-7-6-8-10-16/h6-10,18,21,32H,11-14H2,1-5H3/t18-,21-/m1/s1