Sodium (2S,5R,6R)-6-[2-[3-(Benzoyl)Phenyl]Propanoylamino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 196309-79-2]

Identification

• Name: Sodium (2S,5R,6R)-6-[2-[3-(Benzoyl)Phenyl]Propanoylamino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-[3-(Oxo-Phenylmethyl)Phenyl]Propyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-6-[2-[3-(Benzoyl)Phenyl]Propanoylamino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[2-(3-Phenylcarbonylphenyl)Propanoylamino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₄H₂₃N₂NaO₅S
• Molecular Weight: 474.51
• CAS Registry Number: 196309-79-2
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(C3=CC=CC(=C3)C(=O)C4=CC=CC=C4)C)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C24H24N2O5S.Na/c1-13(15-10-7-11-16(12-15)18(27)14-8-5-4-6-9-14)20(28)25-17-21(29)26-19(23(30)31)24(2,3)32-22(17)26;/h4-13,17,19,22H,1-3H3,(H,25,28)(H,30,31);/q;+1/p-1/t13?,17-,19+,22-;/m1./s1
• InChIKey: NZXCOWFCUGWKEB-FUTSFBNSSA-M

Properties

• Boiling point: 757°C at 760 mmHg (Cal.)
• Flash point: 411.6°C (Cal.)