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Ertapenem Tautomer Dimer I

SZ CAT No SZ-E049009
CAS No 402955-34-4
Mol.F. C44H50N6O14S2
Mol.Wt. 951.0
Inv. Status Custom Synthesis


Chemical Name: (4R,5S,6S)-3-(((3S,5S)-1-((2S,3R)-2-((2S,3R)-5-Carboxy-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-2,3-dihydro-1H-pyrrol-2-yl)-3-hydroxybutanoyl)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Smiles: O=C(C(N12)=C(S[C@@H]3CN(C([C@@H]([C@@H]4NC(C(O)=O)=C(S[C@@H]5CN[C@H](C(NC6=CC=CC(C(O)=O)=C6)=O)C5)[C@@H]4C)[C@H](O)C)=O)[C@H](C(NC7=CC=CC(C(O)=O)=C7)=O)C3)[C@H](C)[C@]2([H])[C@@H]([C@H](O)C)C1=O)O

Inchi: InChI=1S/C16H22N5.C13H16N2O5/c1-21(2,3)7-6-14-9-18-16-5-4-13(8-15(14)16)10-20-12-17-11-19-20;14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h4-5,8-9,11-12,18H,6-7,10H2,1-3H3;1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/q+1;/p-1/t;9-,10-/m.0/s1