AMY-101 TFA

Iupac Name

2,2,2-trifluoroacetic acid--2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10-((1H-imidazol-5-yl)methyl)-19-((1H-indol-3-yl)methyl)-34-(((2S,3S)-2-(((R)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino)-1-hydroxy-3-methylpentylidene)amino)-7-(3-guanidinopropyl)-6,9,12,15,21,24,27,30,33-nonahydroxy-4-(((2S,3S)-1-hydroxy-1-imino-3-methylpentan-2-yl)(methyl)carbamoyl)-25-(3-hydroxy-3-iminopropyl)-31-isopropyl-13,17-dimethyl-28-((1-methyl-1H-indol-3-yl)methyl)-18-oxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriaconta-5,8,11,14,20,23,26,29,32-nonaen-22-yl)acetic acid (1/1)

Inchi Code

1S/C83H117N23O18S2.C2HF3O2/c1-11-43(5)68(103-72(114)53(84)30-46-23-25-50(107)26-24-46)80(122)100-61-39-125-126-40-62(82(124)106(10)69(70(86)112)44(6)12-2)101-73(115)55(21-17-29-90-83(87)88)94-76(118)58(33-49-36-89-41-92-49)96-71(113)45(7)93-65(109)38-105(9)81(123)60(31-47-35-91-54-20-15-13-18-51(47)54)99-77(119)59(34-66(110)111)97-74(116)56(27-28-64(85)108)95-75(117)57(98-79(121)67(42(3)4)102-78(61)120)32-48-37-104(8)63-22-16-14-19-52(48)63;3-2(4,5)1(6)7/h13-16,18-20,22-26,35-37,41-45,53,55-62,67-69,91,107H,11-12,17,21,27-34,38-40,84H2,1-10H3,(H2,85,108)(H2,86,112)(H,89,92)(H,93,109)(H,94,118)(H,95,117)(H,96,113)(H,97,116)(H,98,121)(H,99,119)(H,100,122)(H,101,115)(H,102,120)(H,103,114)(H,110,111)(H4,87,88,90);(H,6,7)/t43-,44-,45-,53+,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-,69-;/m0./s1

InChI key

GDSMXERXVAAZHM-HNSVDFJCSA-N