N-[(2S)-1-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-3-Oxo-2-Azabicyclo[3.1.0]Hexane-1-Carboxamide
[CAS# 120083-46-7]

Identification

• Name: N-[(2S)-1-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-3-(3H-Imidazol-4-Yl)-1-Oxopropan-2-Yl]-3-Oxo-2-Azabicyclo[3.1.0]Hexane-1-Carboxamide
• Synonyms: N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]-3-Oxo-2-Azabicyclo[3.1.0]Hexane-1-Carboxamide; N-[(1S)-2-[(2S)-2-Carbamoyl-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]-3-Oxo-2-Azabicyclo[3.1.0]Hexane-1-Carboxamide; N-[(1S)-2-[(2S)-2-Carbamoylpyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-3-Keto-2-Azabicyclo[3.1.0]Hexane-1-Carboxamide
• Molecular Formula: C₁₇H₂₂N₆O₄
• Molecular Weight: 374.40
• CAS Registry Number: 120083-46-7
• SMILES: [C@@H](NC(=O)C12NC(=O)CC1C2)(C(=O)N3[C@@H](CCC3)C(=O)N)CC4=CN=C[NH]4
• InChI: 1S/C17H22N6O4/c18-14(25)12-2-1-3-23(12)15(26)11(5-10-7-19-8-20-10)21-16(27)17-6-9(17)4-13(24)22-17/h7-9,11-12H,1-6H2,(H2,18,25)(H,19,20)(H,21,27)(H,22,24)/t9?,11-,12-,17?/m0/s1
• InChIKey: MJTKVZDHIBJJAQ-DYVBBLHISA-N

Properties

• Density: 1.507g/cm³ (Cal.)
• Boiling point: 984.793°C at 760 mmHg (Cal.)
• Flash point: 549.383°C (Cal.)