(2S,5R)-6-[[2-[(4-Butyl-2,3-Dioxo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2 -Carboxylic Acid
[CAS 65125-89-5]

Identification

• Name: (2S,5R)-6-[[2-[(4-Butyl-2,3-Dioxo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2 -Carboxylic Acid
• Synonyms: (2S,5R)-6-[[2-[(4-Butyl-2,3-Dioxo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R)-6-[[2-[[(4-Butyl-2,3-Dioxo-1-Piperazinyl)-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R)-6-[[2-[(4-Butyl-2,3-Diketo-Piperazine-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₂₅H₃₁N₅O₇S
• Molecular Weight: 545.61
• CAS Registry Number: 65125-89-5
• SMILES: [C@H]12SC([C@@H](N1C(=O)C2NC(=O)C(NC(=O)N3C(=O)C(=O)N(CC3)CCCC)C4=CC=CC=C4)C(=O)O)(C)C
• InChI: 1S/C25H31N5O7S/c1-4-5-11-28-12-13-29(21(34)20(28)33)24(37)27-15(14-9-7-6-8-10-14)18(31)26-16-19(32)30-17(23(35)36)25(2,3)38-22(16)30/h6-10,15-17,22H,4-5,11-13H2,1-3H3,(H,26,31)(H,27,37)(H,35,36)/t15?,16?,17-,22+/m0/s1
• InChIKey: CKLWZJJGJJORMN-ZFIVPINASA-N