1-[1-[[(Benzyloxy)Carbonyl]Amino]-2,2,2-Trifluoroethyl]-N-(Tert-Butoxycarbonyl)-L-Histidine
[CAS 7682-45-3]

Identification

• Name: 1-[1-[[(Benzyloxy)Carbonyl]Amino]-2,2,2-Trifluoroethyl]-N-(Tert-Butoxycarbonyl)-L-Histidine
• Synonyms: (2S)-2-(Tert-Butoxycarbonylamino)-3-[1-[2,2,2-Trifluoro-1-(Phenylmethoxycarbonylamino)Ethyl]Imidazol-4-Yl]Propanoic Acid; (2S)-2-[(Tert-Butoxy-Oxomethyl)Amino]-3-[1-[2,2,2-Trifluoro-1-[[Oxo-(Phenylmethoxy)Methyl]Amino]Ethyl]-4-Imidazolyl]Propanoic Acid; (2S)-3-[1-[1-(Benzyloxycarbonylamino)-2,2,2-Trifluoro-Ethyl]Imidazol-4-Yl]-2-(Tert-Butoxycarbonylamino)Propionic Acid
• Molecular Formula: C₂₁H₂₅F₃N₄O₆
• Molecular Weight: 486.45
• CAS Registry Number: 7682-45-3
• EINECS: 231-684-0
• SMILES: [C@H](NC(OC(C)(C)C)=O)(CC2=C[N](C(NC(OCC1=CC=CC=C1)=O)C(F)(F)F)C=N2)C(=O)O
• InChI: 1S/C21H25F3N4O6/c1-20(2,3)34-19(32)26-15(16(29)30)9-14-10-28(12-25-14)17(21(22,23)24)27-18(31)33-11-13-7-5-4-6-8-13/h4-8,10,12,15,17H,9,11H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)/t15-,17?/m0/s1
• InChIKey: MXBLBDHOSUWYDH-MYJWUSKBSA-N

Properties

• Density: 1.362g/cm³ (Cal.)
• Boiling point: 655.652°C at 760 mmHg (Cal.)
• Flash point: 350.326°C (Cal.)