1-Ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 37660-97-2]

Identification

• Name: 1-Ethoxycarbonyloxyethyl (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 1-Ethoxycarbonyloxyethyl Ester; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid 1-Carbethoxyoxyethyl Ester; 1-Ethoxycarbonyloxyethyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₁H₂₆N₂O₇S
• Molecular Weight: 450.51
• CAS Registry Number: 37660-97-2
• SMILES: [C@H]1(N2[C@H](SC1(C)C)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C)OC(=O)OCC
• InChI: 1S/C21H26N2O7S/c1-5-28-20(27)30-12(2)29-19(26)16-21(3,4)31-18-15(17(25)23(16)18)22-14(24)11-13-9-7-6-8-10-13/h6-10,12,15-16,18H,5,11H2,1-4H3,(H,22,24)/t12?,15-,16+,18-/m1/s1
• InChIKey: LLOPNXSHSVOOOI-NZHQHIMKSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 659.055°C at 760 mmHg (Cal.)
• Flash point: 352.384°C (Cal.)