Secretin (33-59), rat

Iupac Name

(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,39S)-39-(((S)-2-(((S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino)-1,3-dihydroxypropylidene)amino)-30-benzyl-3-((3S,6S,9S,12S,15S,18S,21S,24S,27S,33S,36S)-9,18-bis(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25,28,31,34-dodecahydroxy-36-(hydroxy(imino)methyl)-15,27-bis(3-hydroxy-3-iminopropyl)-3-(hydroxymethyl)-12,21,24,33-tetraisobutyl-6,37-dimethyl-2,5,8,11,14,17,20,23,26,29,32,35-dodecaazaoctatriaconta-1,4,7,10,13,16,19,22,25,28,31,34-dodecaen-1-yl)-21-(2-carboxyethyl)-12-(3-guanidinopropyl)-5,8,11,14,17,20,23,26,29,32,35,38-dodecahydroxy-6-(3-hydroxy-3-iminopropyl)-27,33-bis((R)-1-hydroxyethyl)-15,24-bis(hydroxymethyl)-9,18-diisobutyl-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazahentetraconta-4,7,10,13,16,19,22,25,28,31,34,37-dodecaenedioic acid

Inchi Code

1S/C129H216N42O42/c1-58(2)40-78(119(206)170-99(64(13)14)102(134)189)149-94(181)51-145-105(192)74(29-33-91(131)178)153-113(200)81(43-61(7)8)161-116(203)82(44-62(9)10)159-108(195)72(27-22-38-143-128(137)138)151-110(197)75(30-34-92(132)179)154-114(201)79(41-59(3)4)157-107(194)71(26-21-37-142-127(135)136)150-103(190)65(15)148-121(208)87(53-172)166-118(205)86(49-98(187)188)163-111(198)76(31-35-93(133)180)155-115(202)80(42-60(5)6)158-109(196)73(28-23-39-144-129(139)140)152-122(209)89(55-174)167-117(204)83(45-63(11)12)160-112(199)77(32-36-96(183)184)156-123(210)90(56-175)168-126(213)101(67(17)177)171-120(207)84(46-68-24-19-18-20-25-68)164-125(212)100(66(16)176)169-95(182)52-146-106(193)85(48-97(185)186)162-124(211)88(54-173)165-104(191)70(130)47-69-50-141-57-147-69/h18-20,24-25,50,57-67,70-90,99-101,172-177H,21-23,26-49,51-56,130H2,1-17H3,(H2,131,178)(H2,132,179)(H2,133,180)(H2,134,189)(H,141,147)(H,145,192)(H,146,193)(H,148,208)(H,149,181)(H,150,190)(H,151,197)(H,152,209)(H,153,200)(H,154,201)(H,155,202)(H,156,210)(H,157,194)(H,158,196)(H,159,195)(H,160,199)(H,161,203)(H,162,211)(H,163,198)(H,164,212)(H,165,191)(H,166,205)(H,167,204)(H,168,213)(H,169,182)(H,170,206)(H,171,207)(H,183,184)(H,185,186)(H,187,188)(H4,135,136,142)(H4,137,138,143)(H4,139,140,144)/t65-,66+,67+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-,100-,101-/m0/s1

InChI key

LKHWQEXKRMDFFJ-NEMWHCQRSA-N