IUPAC Name
(4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;2,2,2-trifluoroacetic acid
Synonyms
D-Tyrosinamide, N-acetyl-4-nitro-L-phenylalanyl-D-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic (2→7)-disulfide, 2,2,2-trifluoroacetate (1:1); CYN154806 TFA; CYN-154806 TFA; Ac-Phe(4-NO2)-D-Cys-Tyr-D-Trp-Lys-Thr-Cys-D-Tyr-NH2.TFA (Disulfide bridge: Cys2-Cys7); N-acetyl-4-nitro-L-phenylalanyl-D-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-D-tyrosinamide (2->7)-disulfide trifluoroacetic acid; CYN 154806 trifluoroacetate salt
InChI
InChI=1S/C56H68N12O14S2.C2HF3O2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57;3-2(4,5)1(6)7/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74);(H,6,7)/t30-,41+,42-,43+,44+,45-,46-,47+,48+;/m1./s1
