(6R,7R)-3-Methyl-8-Oxo-7-[[2-(2-Oxo-1,3-Benzoxazol-3-Yl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 130970-57-9]

Identification

• Name: (6R,7R)-3-Methyl-8-Oxo-7-[[2-(2-Oxo-1,3-Benzoxazol-3-Yl)Acetyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-3-Methyl-8-Oxo-7-[[1-Oxo-2-(2-Oxo-1,3-Benzoxazol-3-Yl)Ethyl]Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-8-Keto-7-[[2-(2-Keto-1,3-Benzoxazol-3-Yl)Acetyl]Amino]-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-3-Methyl-8-Oxo-7-[2-(2-Oxo-1,3-Benzoxazol-3-Yl)Ethanoylamino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₇H₁₅N₃O₆S
• Molecular Weight: 389.38
• CAS Registry Number: 130970-57-9
• SMILES: [C@@H]12N(C(=C(CS1)C)C(=O)O)C([C@H]2NC(=O)CN3C(OC4=CC=CC=C34)=O)=O
• InChI: 1S/C17H15N3O6S/c1-8-7-27-15-12(14(22)20(15)13(8)16(23)24)18-11(21)6-19-9-4-2-3-5-10(9)26-17(19)25/h2-5,12,15H,6-7H2,1H3,(H,18,21)(H,23,24)/t12-,15-/m1/s1
• InChIKey: RRJMJOCOTPUQTQ-IUODEOHRSA-N

Properties

• Density: 1.668g/cm³ (Cal.)