Ghrelin (human) Trifluoroacetic Acid Salt

Iupac Name

(4S,7S,10S,13S,16S,19S,22S,25S,28S,31S)-28-((1H-imidazol-5-yl)methyl)-4-((((S)-1-(((S)-6-amino-1-(((S)-6-amino-1-((S)-2-((S)-2-((3S,6S,9S,12S)-6-(4-aminobutyl)-12-((S)-2-((((S)-1-carboxy-4-guanidinobutyl)imino)(hydroxy)methyl)pyrrolidine-1-carbonyl)-1,4,7,10,15-pentahydroxy-15-imino-9-isobutyl-3-methyl-2,5,8,11-tetraazapentadeca-1,4,7,10-tetraen-1-yl)pyrrolidine-1-carbonyl)pyrrolidin-1-yl)-1-oxohexan-2-yl)imino)-1-hydroxyhexan-2-yl)imino)-1,3-dihydroxypropan-2-yl)imino)(hydroxy)methyl)-31-((((S)-1-((2S,5S,8S,11S,14S)-17-amino-8-benzyl-4,7,10,13,16-pentahydroxy-2,14-bis(hydroxymethyl)-5-isobutyl-11-((octanoyloxy)methyl)-3,6,9,12,15-pentaazaheptadeca-3,6,9,12,15-pentaenoyl)pyrrolidin-2-yl)(hydroxy)methylene)amino)-7-(4-aminobutyl)-10,22-bis(3-guanidinopropyl)-6,9,12,15,18,21,24,27,30-nonahydroxy-13,16,25-tris(3-hydroxy-3-iminopropyl)-19-isopropyl-5,8,11,14,17,20,23,26,29-nonaazatetratriaconta-5,8,11,14,17,20,23,26,29-nonaenedioic acid--2,2,2-trifluoroacetic acid (1/1)

Inchi Code

1S/C149H249N47O42.C2HF3O2/c1-9-10-11-12-16-45-118(209)238-78-106(191-135(225)103(75-197)171-115(204)73-154)137(227)187-101(71-84-32-14-13-15-33-84)133(223)186-100(70-81(4)5)132(222)190-105(77-199)144(234)194-66-29-42-108(194)139(229)180-95(51-57-117(207)208)128(218)188-102(72-85-74-165-79-169-85)134(224)179-92(47-53-112(156)201)126(216)175-90(39-26-63-167-148(161)162)130(220)192-119(82(6)7)141(231)181-93(48-54-113(157)202)127(217)177-91(46-52-111(155)200)125(215)174-89(38-25-62-166-147(159)160)122(212)173-87(35-18-22-59-151)121(211)178-94(50-56-116(205)206)129(219)189-104(76-198)136(226)176-88(36-19-23-60-152)123(213)182-96(37-20-24-61-153)142(232)196-68-31-44-110(196)145(235)195-67-30-41-107(195)138(228)170-83(8)120(210)172-86(34-17-21-58-150)124(214)185-99(69-80(2)3)131(221)183-97(49-55-114(158)203)143(233)193-65-28-43-109(193)140(230)184-98(146(236)237)40-27-64-168-149(163)164;3-2(4,5)1(6)7/h13-15,32-33,74,79-83,86-110,119,197-199H,9-12,16-31,34-73,75-78,150-154H2,1-8H3,(H2,155,200)(H2,156,201)(H2,157,202)(H2,158,203)(H,165,169)(H,170,228)(H,171,204)(H,172,210)(H,173,212)(H,174,215)(H,175,216)(H,176,226)(H,177,217)(H,178,211)(H,179,224)(H,180,229)(H,181,231)(H,182,213)(H,183,221)(H,184,230)(H,185,214)(H,186,223)(H,187,227)(H,188,218)(H,189,219)(H,190,222)(H,191,225)(H,192,220)(H,205,206)(H,207,208)(H,236,237)(H4,159,160,166)(H4,161,162,167)(H4,163,164,168);(H,6,7)/t83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,119-;/m0./s1

InChI key

HCMCDTLJSSFBAB-BHDRLBAHSA-N