(2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-{[(2S)-2-Phenoxybutanoyl]Amino}-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 3736-12-7]

Identification

• Name: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-{[(2S)-2-Phenoxybutanoyl]Amino}-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: 07/12/3736
• Molecular Formula: C₁₈H₂₂N₂O₅S
• Molecular Weight: 378.44
• CAS Registry Number: 3736-12-7
• SMILES: O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](Oc1ccccc1)CC)[C@H]3SC2(C)C
• InChI: 1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11-,12+,13-,16+/m0/s1
• InChIKey: HOCWPKXKMNXINF-RSUWNVLCSA-N

Properties

• Density: 1.38g/cm³ (Cal.)
• Boiling point: 675.513°C at 760 mmHg (Cal.)
• Flash point: 362.338°C (Cal.)