Sodium [2S-(2alpha,5alpha,6beta)]-6-[[3-(Benzyloxy)-1,3-Dioxo-2-Phenylpropyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 4628-27-7]

Identification

• Name: Sodium [2S-(2alpha,5alpha,6beta)]-6-[[3-(Benzyloxy)-1,3-Dioxo-2-Phenylpropyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium (2S,5R,6R)-6-[[1,3-Dioxo-2-Phenyl-3-(Phenylmethoxy)Propyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-6-[[3-(Benzyloxy)-3-Keto-2-Phenyl-Propanoyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S-(2Alpha,5Alpha,6Beta))-6-((3-(Benzyloxy)-1,3-Dioxo-2-Phenylpropyl)Amino)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylate
• Molecular Formula: C₂₄H₂₃N₂NaO₆S
• Molecular Weight: 490.51
• CAS Registry Number: 4628-27-7
• EINECS: 225-042-9
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(C3=CC=CC=C3)C(OCC4=CC=CC=C4)=O)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C24H24N2O6S.Na/c1-24(2)18(22(29)30)26-20(28)17(21(26)33-24)25-19(27)16(15-11-7-4-8-12-15)23(31)32-13-14-9-5-3-6-10-14;/h3-12,16-18,21H,13H2,1-2H3,(H,25,27)(H,29,30);/q;+1/p-1/t16?,17-,18+,21-;/m1./s1
• InChIKey: OPGIEYWUUHSZHP-OZAKWNFJSA-M

Properties

• Boiling point: 757.6°C at 760 mmHg (Cal.)
• Flash point: 412°C (Cal.)