[2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenylacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 4-Oxide
[CAS# 4052-54-4]

Identification

• Name: [2S-(2alpha,5alpha,6beta)]-3,3-Dimethyl-7-Oxo-6-(Phenylacetamido)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 4-Oxide
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-4,7-Dioxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-4,7-Diketo-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; (2S,5R,6R)-3,3-Dimethyl-4,7-Dioxo-6-(2-Phenylethanoylamino)-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₁₈N₂O₅S
• Molecular Weight: 350.39
• CAS Registry Number: 4052-54-4
• EINECS: 223-757-0
• SMILES: [C@H]12[S](=O)C([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)O)(C)C
• InChI: 1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,24?/m1/s1
• InChIKey: FCZNNHHXCFARDY-WQRUCBPWSA-N

Properties

• Density: 1.514g/cm³ (Cal.)
• Boiling point: 762.765°C at 760 mmHg (Cal.)
• Flash point: 415.106°C (Cal.)