Pasireotide TFA Salt - Analytical Products / Alfa Chemistry

CAT	APS010922
Synonyms	SOM 320, Signifor, SOM 230,Cyclo[(2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-(phenylmethyl)-L-tyrosyl-L-phenylalanyl-(4R)-4-[[[(2-aminoethyl)amino]carbonyl]oxy]-L-prolyl]
IUPAC Name	[(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-6-[(4-benzyloxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate;2,2,2-trifluoroacetic acid
Molecular Weight	1047.21
Molecular Formula	C58H66N10O9.XC2HF3O2
Canonical SMILES	NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](Cc5ccccc5)NC(=O)[C@H](Cc6ccc(OCc7ccccc7)cc6)NC1=O)OC(=O)NCCN)c8ccccc8.OC(=O)C(F)(F)F
InChI	InChI=1S/C58H66N10O9.C2HF3O2/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45