(6R,7R)-7-[(2-Amino-2-Phenylacetyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chloro-6-Fluorophenyl)-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 79806-18-1]

Identification

• Name: (6R,7R)-7-[(2-Amino-2-Phenylacetyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chloro-6-Fluorophenyl)-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chloro-6-Fluoro-Phenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (6R,7R)-7-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (2S,5R,6R)-6-[[[3-(2-Chloro-6-Fluorophenyl)-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (6R,7R)-7-[(2-Amino-2-Phenyl-Acetyl)Amino]-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chloro-6-Fluoro-Phenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₃₅H₃₄ClFN₆O₉S₂
• Molecular Weight: 801.26
• CAS Registry Number: 79806-18-1
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=C(F)C=CC=C4Cl)C)C(=O)O)(C)C.[C@H]56SCC(=C(N5C(=O)[C@H]6NC(=O)C(N)C7=CC=CC=C7)C(=O)O)C
• InChI: 1S/C19H17ClFN3O5S.C16H17N3O4S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t13-,14+,17-;10?,11-,15-/m11/s1
• InChIKey: OWXZKSOCHOSWJC-FJBOHYJFSA-N

Properties

• Boiling point: 677.3°C at 760 mmHg (Cal.)
• Flash point: 363.4°C (Cal.)