Benzylpenicilloyl-N-Propylamine
[CAS# 22131-71-1]

Identification

• Name: Benzylpenicilloyl-N-Propylamine
• Synonyms: (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-N-Propyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxamide; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-N-Propyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxamide; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylethanoylamino)-N-Propyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxamide
• Molecular Formula: C₁₉H₂₅N₃O₃S
• Molecular Weight: 375.48
• CAS Registry Number: 22131-71-1
• SMILES: [C@H]1(N2[C@H](SC1(C)C)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)NCCC
• InChI: 1S/C19H25N3O3S/c1-4-10-20-16(24)15-19(2,3)26-18-14(17(25)22(15)18)21-13(23)11-12-8-6-5-7-9-12/h5-9,14-15,18H,4,10-11H2,1-3H3,(H,20,24)(H,21,23)/t14-,15+,18-/m1/s1
• InChIKey: MMBUCVYZVWXLFW-RVKKMQEKSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 695.626°C at 760 mmHg (Cal.)
• Flash point: 374.501°C (Cal.)