(2S,5R,6R)-3,3-Dimethyl-6-[(5-Methyl-3-Phenyl1,2-Oxazole-4-Carbonyl)Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid, 3,3-Dimethyl-6-[[2-[(3-Methylsulfonyl-2-Oxoimidazolidine-1-Carbonyl)Amino]-2-Phenylacetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS 72539-76-5]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-6-[(5-Methyl-3-Phenyl1,2-Oxazole-4-Carbonyl)Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid, 3,3-Dimethyl-6-[[2-[(3-Methylsulfonyl-2-Oxoimidazolidine-1-Carbonyl)Amino]-2-Phenylacetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-6-[(5-Methyl-3-Phenyl-Isoxazole-4-Carbonyl)Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 3,3-Dimethyl-6-[[2-[(3-Methylsulfonyl-2-Oxo-Imidazolidine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-6-[[(5-Methyl-3-Phenyl-4-Isoxazolyl)-Oxomethyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 3,3-Dimethyl-6-[[2-[[(3-Methylsulfonyl-2-Oxo-1-Imidazolidinyl)-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(5-Methyl-3-Phenyl-Isoxazole-4-Carbonyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 7-Keto-6-[[2-[(2-Keto-3-Mesyl-Imidazolidine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₄₀H₄₄N₈O₁₃S₃
• Molecular Weight: 941.01
• CAS Registry Number: 72539-76-5
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=CC=CC=C4)C)C(=O)O)(C)C.C8=C(C(NC(=O)N5C(=O)N([S](=O)(=O)C)CC5)C(=O)NC7C6SC(C(N6C7=O)C(=O)O)(C)C)C=CC=C8
• InChI: 1S/C21H25N5O8S2.C19H19N3O5S/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30);4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t;13-,14+,17-/m.1/s1
• InChIKey: MPPLHLMSSPRSJL-WBTRYNONSA-N