(2S)-N-[(2S,3S)-4-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-3-Hydroxy-4-Oxo-1-Phenylbutan-2-Yl]-2-(Quinoxaline-2-Carbonylamino)Butanediamide
[CAS# 144779-91-9]

Identification

• Name: (2S)-N-[(2S,3S)-4-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-3-Hydroxy-4-Oxo-1-Phenylbutan-2-Yl]-2-(Quinoxaline-2-Carbonylamino)Butanediamide
• Synonyms: (2S)-N-[(1S,2S)-3-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-2-Hydroxy-3-Oxo-1-(Phenylmethyl)Propyl]-2-(Quinoxaline-2-Carbonylamino)Butanediamide; (2S)-N-[(1S,2S)-3-[(2S)-2-[(Tert-Butylamino)-Oxomethyl]-1-Pyrrolidinyl]-2-Hydroxy-3-Oxo-1-(Phenylmethyl)Propyl]-2-[[Oxo-(2-Quinoxalinyl)Methyl]Amino]Butanediamide; (2S)-N-[(1S,2S)-1-(Benzyl)-3-[(2S)-2-(Tert-Butylcarbamoyl)Pyrrolidin-1-Yl]-2-Hydroxy-3-Keto-Propyl]-2-(Quinoxaline-2-Carbonylamino)Succinamide
• Molecular Formula: C₃₂H₃₉N₇O₆
• Molecular Weight: 617.70
• CAS Registry Number: 144779-91-9
• SMILES: [C@@H]4(N(C(=O)[C@@H](O)[C@@H](NC(=O)[C@@H](NC(=O)C2=NC1=CC=CC=C1N=C2)CC(=O)N)CC3=CC=CC=C3)CCC4)C(=O)NC(C)(C)C
• InChI: 1S/C32H39N7O6/c1-32(2,3)38-30(44)25-14-9-15-39(25)31(45)27(41)22(16-19-10-5-4-6-11-19)36-28(42)23(17-26(33)40)37-29(43)24-18-34-20-12-7-8-13-21(20)35-24/h4-8,10-13,18,22-23,25,27,41H,9,14-17H2,1-3H3,(H2,33,40)(H,36,42)(H,37,43)(H,38,44)/t22-,23-,25-,27-/m0/s1
• InChIKey: UYZMZENNYRSFDS-QNWDWTFCSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 1055.458°C at 760 mmHg (Cal.)
• Flash point: 592.12°C (Cal.)