Methyl N²-[4-(5,7-Difluoro-2-Phenyl-1H-Indol-3-Yl)Butanoyl]-L-Argininate Trifluoroacetate (1:1)
[CAS# 217480-26-7]

Identification

• Name: Methyl N²-[4-(5,7-Difluoro-2-Phenyl-1H-Indol-3-Yl)Butanoyl]-L-Argininate Trifluoroacetate (1:1)
• Synonyms: L-803,087; L-803,087 trifluoroacetate
• Molecular Formula: C₂₇H₃₀F₅N₅O₅
• Molecular Weight: 599.55
• CAS Registry Number: 217480-26-7
• SMILES: COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCC1=C(NC2=C1C=C(C=C2F)F)C3=CC=CC=C3.C(=O)(C(F)(F)F)O
• InChI: 1S/C25H29F2N5O3.C2HF3O2/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15;3-2(4,5)1(6)7/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30);(H,6,7)/t20-;/m0./s1
• InChIKey: IIRYZHRNVKQVGQ-BDQAORGHSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol