Sodium (2S,5R)-6-[[3-[Di(Phenyl)Methyl]-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 77372-70-4]

Identification

• Name: Sodium (2S,5R)-6-[[3-[Di(Phenyl)Methyl]-5-Methyl1,2-Oxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium (2S,5R)-6-[[3-[Di(Phenyl)Methyl]-5-Methyl-Isoxazole-4-Carbonyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R)-6-[[[3-[Di(Phenyl)Methyl]-5-Methyl-4-Isoxazolyl]-Oxomethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R)-6-[[3-[Di(Phenyl)Methyl]-5-Methyl-Isoxazole-4-Carbonyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₆H₂₄N₃NaO₅S
• Molecular Weight: 513.54
• CAS Registry Number: 77372-70-4
• SMILES: [C@H]12SC([C@@H](N1C(=O)C2NC(=O)C3=C(ON=C3C(C4=CC=CC=C4)C5=CC=CC=C5)C)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C26H25N3O5S.Na/c1-14-17(22(30)27-20-23(31)29-21(25(32)33)26(2,3)35-24(20)29)19(28-34-14)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,18,20-21,24H,1-3H3,(H,27,30)(H,32,33);/q;+1/p-1/t20?,21-,24+;/m0./s1
• InChIKey: YZFPPFDBVLXRED-FXQXEVIPSA-M

Properties

• Boiling point: 725.3°C at 760 mmHg (Cal.)
• Flash point: 392.4°C (Cal.)