[2S-[2alpha,5alpha,6beta(S*)]]-6-[[[[(2,3-Dihydro-4-Methyl-3-Oxo-1H-Pyrazol-1-Yl)Carbonyl]Amino]Phenylacetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Monosodium Salt
[CAS# 54944-56-8]

Identification

• Name: [2S-[2alpha,5alpha,6beta(S*)]]-6-[[[[(2,3-Dihydro-4-Methyl-3-Oxo-1H-Pyrazol-1-Yl)Carbonyl]Amino]Phenylacetyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid Monosodium Salt
• Synonyms: Sodium (2S,5R,6R)-3,3-Dimethyl-6-[[2-[(4-Methyl-3-Oxo-2H-Pyrazole-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-3,3-Dimethyl-6-[[2-[[(4-Methyl-3-Oxo-2H-Pyrazol-1-Yl)-Oxomethyl]Amino]-1-Oxo-2-Phenylethyl]Amino]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-7-Keto-6-[[2-[(3-Keto-4-Methyl-2H-Pyrazole-1-Carbonyl)Amino]-2-Phenyl-Acetyl]Amino]-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₁H₂₂N₅NaO₆S
• Molecular Weight: 495.48
• CAS Registry Number: 54944-56-8
• EINECS: 259-401-6
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(NC(=O)N3NC(=O)C(=C3)C)C4=CC=CC=C4)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C21H23N5O6S.Na/c1-10-9-25(24-15(10)27)20(32)23-12(11-7-5-4-6-8-11)16(28)22-13-17(29)26-14(19(30)31)21(2,3)33-18(13)26;/h4-9,12-14,18H,1-3H3,(H,22,28)(H,23,32)(H,24,27)(H,30,31);/q;+1/p-1/t12?,13-,14+,18-;/m1./s1
• InChIKey: KDVROWCPWQNOOI-XNQXBXCDSA-M