(E)-but-2-enedioic acid; 2,2-dimethylpropanoyloxymethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; 2,2-dimethylpropanoyloxymethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; (4R,5S,6S)-3-[[1-[(4-fluorophenyl)methyl]-3-azetidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: (E)-but-2-enedioic acid; 2,2-dimethylpropanoyloxymethyl (4R,5S,6S)-3-[1-[(4-fluorophenyl)methyl]azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (4R,5S,6S)-3-[[1-(4-fluorobenzyl)azetidin-3-yl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid pivaloyloxymethyl ester; fumaric acid Formula: C30H37FN2O10S MolecularWeight: 636.685583

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CN(C3)CC4=CC=C(C=C4)F)C(=O)OCOC(=O)C(C)(C)C)C(C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)CC4=CC=C(C=C4)F)C(=O)OCOC(=O)C(C)(C)C)[C@@H](C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H33FN2O6S.C4H4O4/c1-14-20-19(15(2)30)23(31)29(20)21(24(32)34-13-35-25(33)26(3,4)5)22(14)36-18-11-28(12-18)10-16-6-8-17(27)9-7-16;5-3(6)1-2-4(7)8/h6-9,14-15,18-20,30H,10-13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,15-,19-,20-;/m1./s1