Benzamidomethyl Benzylpenicillinate
[CAS# 51164-29-5]

Identification

• Name: Benzamidomethyl Benzylpenicillinate
• 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 [(Oxo-Phenylmethyl)Amino]Methyl Ester; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid (Benzoylamino)Methyl Ester; (Phenylcarbonylamino)Methyl (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₂₄H₂₅N₃O₅S
• Molecular Weight: 467.54
• CAS Registry Number: 51164-29-5
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(OCNC(=O)C4=CC=CC=C4)=O)(C)C
• InChI: 1S/C24H25N3O5S/c1-24(2)19(23(31)32-14-25-20(29)16-11-7-4-8-12-16)27-21(30)18(22(27)33-24)26-17(28)13-15-9-5-3-6-10-15/h3-12,18-19,22H,13-14H2,1-2H3,(H,25,29)(H,26,28)/t18-,19+,22-/m1/s1
• InChIKey: VBKUADJCSIVGOW-XQBPLPMBSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 790.093°C at 760 mmHg (Cal.)
• Flash point: 431.633°C (Cal.)