(2R,5R,6R)-6-[(2-Amino-2-Phenylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 37203-95-5]

Identification

• Name: (2R,5R,6R)-6-[(2-Amino-2-Phenylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2R,5R,6R)-6-[(2-Amino-2-Phenyl-Acetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2R,5R,6R)-6-[(2-Amino-1-Oxo-2-Phenylethyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[[3-(2-Chlorophenyl)-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2R,5R,6R)-6-[(2-Amino-2-Phenyl-Acetyl)Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-6-[[3-(2-Chlorophenyl)-5-Methyl-Isoxazole-4-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₃₅H₃₇ClN₆O₉S₂
• Molecular Weight: 785.29
• CAS Registry Number: 37203-95-5
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C)C(=O)O)(C)C.[C@H]56SC([C@H](N5C(=O)[C@H]6NC(=O)C(N)C7=CC=CC=C7)C(=O)O)(C)C
• InChI: 1S/C19H18ClN3O5S.C16H19N3O4S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t13-,14+,17-;9?,10-,11-,14-/m11/s1
• InChIKey: QHQUZKWKSZIMPO-VFCPWSTESA-N

Properties

• Boiling point: 689.7°C at 760 mmHg (Cal.)
• Flash point: 370.9°C (Cal.)