[3-(2-Methylpropanoyloxymethyl)Phenyl] (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 151287-22-8]

Identification

• Name: [3-(2-Methylpropanoyloxymethyl)Phenyl] (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid [3-[(2-Methyl-1-Oxopropoxy)Methyl]Phenyl] Ester; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid [3-(Isobutyryloxymethyl)Phenyl] Ester; [3-(2-Methylpropanoyloxymethyl)Phenyl] (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₇H₃₀N₂O₆S
• Molecular Weight: 510.60
• CAS Registry Number: 151287-22-8
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(OC4=CC(=CC=C4)COC(=O)C(C)C)=O)(C)C
• InChI: 1S/C27H30N2O6S/c1-16(2)25(32)34-15-18-11-8-12-19(13-18)35-26(33)22-27(3,4)36-24-21(23(31)29(22)24)28-20(30)14-17-9-6-5-7-10-17/h5-13,16,21-22,24H,14-15H2,1-4H3,(H,28,30)/t21-,22+,24-/m1/s1
• InChIKey: MGKUHWMKIYHWOJ-AOHZBQACSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 700.779°C at 760 mmHg (Cal.)
• Flash point: 377.618°C (Cal.)