CRF (6-33) acetate(120066-38-8 free base)

Iupac Name

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S,68S,71S,74S)-5,62-bis((1H-imidazol-5-yl)methyl)-74-(((S)-2-(((S)-2-(((2S,3S)-2-amino-1-hydroxy-3-methylpentylidene)amino)-1,3-dihydroxypropylidene)amino)-1-hydroxy-4-methylpentylidene)amino)-65-benzyl-26,41,50-tris(2-carboxyethyl)-32,53-bis(3-guanidinopropyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73-tetracosahydroxy-11,14,23-tris(3-hydroxy-3-iminopropyl)-68-((R)-1-hydroxyethyl)-2-(hydroxymethyl)-20,44,56,59,71-pentaisobutyl-47-isopropyl-8,17,29,35-tetramethyl-38-(2-(methylthio)ethyl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaazahexaheptaconta-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72-tetracosaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C141H231N41O43S.C2H4O2/c1-23-72(16)109(145)136(221)179-100(61-183)135(220)174-93(52-68(8)9)129(214)176-99(58-108(195)196)133(218)173-95(54-70(12)13)134(219)182-111(77(21)185)138(223)178-96(55-78-29-25-24-26-30-78)130(215)175-98(57-80-60-151-64-155-80)131(216)172-92(51-67(6)7)128(213)171-91(50-66(4)5)126(211)163-82(32-28-47-153-141(148)149)119(204)166-88(38-44-107(193)194)124(209)181-110(71(14)15)137(222)177-94(53-69(10)11)127(212)167-87(37-43-106(191)192)122(207)168-89(45-48-226-22)118(203)158-73(17)112(197)160-81(31-27-46-152-140(146)147)116(201)156-74(18)113(198)162-86(36-42-105(189)190)121(206)165-85(35-41-104(144)188)123(208)170-90(49-65(2)3)125(210)159-75(19)114(199)161-84(34-40-103(143)187)120(205)164-83(33-39-102(142)186)117(202)157-76(20)115(200)169-97(56-79-59-150-63-154-79)132(217)180-101(62-184)139(224)225;1-2(3)4/h24-26,29-30,59-60,63-77,81-101,109-111,183-185H,23,27-28,31-58,61-62,145H2,1-22H3,(H2,142,186)(H2,143,187)(H2,144,188)(H,150,154)(H,151,155)(H,156,201)(H,157,202)(H,158,203)(H,159,210)(H,160,197)(H,161,199)(H,162,198)(H,163,211)(H,164,205)(H,165,206)(H,166,204)(H,167,212)(H,168,207)(H,169,200)(H,170,208)(H,171,213)(H,172,216)(H,173,218)(H,174,220)(H,175,215)(H,176,214)(H,177,222)(H,178,223)(H,179,221)(H,180,217)(H,181,209)(H,182,219)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,224,225)(H4,146,147,152)(H4,148,149,153);1H3,(H,3,4)/t72-,73-,74-,75-,76-,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-,110-,111-;/m0./s1

InChI key

FDRYCOHQPPIXRL-VTHKIJRSSA-N