Tert-Butyloxycarbonyl-Leucyl-Glycyl-Arginine-4-Trifluoromethylcoumarin-7-Amide
[CAS# 117141-39-6]

Identification

• Name: Tert-Butyloxycarbonyl-Leucyl-Glycyl-Arginine-4-Trifluoromethylcoumarin-7-Amide
• Synonyms: Tert-Butyl N-[(1S)-1-[[2-[[(2S)-5-Guanidino-2-[[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Amino]Pentanoyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamate; N-[(1S)-1-[[[2-[[(2S)-5-Guanidino-1-Oxo-2-[[2-Oxo-4-(Trifluoromethyl)-7-Chromenyl]Amino]Pentyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-3-Methylbutyl]Carbamic Acid Tert-Butyl Ester; N-[(1S)-1-[[2-[[(2S)-5-Guanidino-2-[[2-Keto-4-(Trifluoromethyl)Chromen-7-Yl]Amino]Pentanoyl]Amino]-2-Keto-Ethyl]Carbamoyl]-3-Methyl-Butyl]Carbamic Acid Tert-Butyl Ester
• Molecular Formula: C₂₉H₄₀F₃N₇O₇
• Molecular Weight: 655.67
• CAS Registry Number: 117141-39-6
• SMILES: [C@H](NC(OC(C)(C)C)=O)(CC(C)C)C(=O)NCC(=O)NC(=O)[C@@H](NC1=CC2=C(C=C1)C(=CC(O2)=O)C(F)(F)F)CCCN=C(N)N
• InChI: 1S/C29H40F3N7O7/c1-15(2)11-20(38-27(44)46-28(3,4)5)24(42)36-14-22(40)39-25(43)19(7-6-10-35-26(33)34)37-16-8-9-17-18(29(30,31)32)13-23(41)45-21(17)12-16/h8-9,12-13,15,19-20,37H,6-7,10-11,14H2,1-5H3,(H,36,42)(H,38,44)(H4,33,34,35)(H,39,40,43)/t19-,20-/m0/s1
• InChIKey: PHRPJBROAGODAG-PMACEKPBSA-N

Properties

• Density: 1.387g/cm³ (Cal.)