Exendin9-39

Structural Information

Molecular Formula

C₁₄₉H₂₃₄N₄₀O₄₇S

SMILES

CCC(C)C(C(=NC(CCC(=O)O)C(=NC(CC1=CNC2=CC=CC=C21)C(=NC(CC(C)C)C(=NC(CCCCN)C(=NC(CCC(=N)O)C(=NCC(=NCC(=O)N3CCCC3C(=NC(CO)C(=NC(CO)C(=NCC(=NC(C)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)N6CCCC6C(=NC(CO)C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C(C(CC7=CC=CC=C7)N=C(C(CC(C)C)N=C(C(CCCNC(=N)N)N=C(C(C(C)C)N=C(C(C)N=C(C(CCC(=O)O)N=C(C(CCC(=O)O)N=C(C(CCC(=O)O)N=C(C(CSC)N=C(C(CCC(=N)O)N=C(C(CCCCN)N=C(C(CO)N=C(C(CC(C)C)N=C(C(CC(=O)O)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C149H234N40O47S/c1-14-78(10)120(185-138(226)98(62-81-29-16-15-17-30-81)177-135(223)97(61-76(6)7)175-129(217)88(35-24-54-158-149(156)157)172-144(232)119(77(8)9)184-122(210)79(11)164-126(214)91(42-48-114(199)200)169-130(218)92(43-49-115(201)202)170-131(219)93(44-50-116(203)204)171-141(229)104(73-237-13)183-133(221)90(41-47-110(154)195)168-128(216)87(34-21-23-53-151)166-139(227)102(71-192)181-136(224)95(59-74(2)3)174-123(211)84(152)64-118(207)208)145(233)173-94(45-51-117(205)206)132(220)178-99(63-82-65-159-85-32-19-18-31-83(82)85)137(225)176-96(60-75(4)5)134(222)165-86(33-20-22-52-150)127(215)167-89(40-46-109(153)194)124(212)161-66-111(196)160-68-113(198)186-55-25-36-105(186)142(230)182-103(72-193)140(228)180-101(70-191)125(213)162-67-112(197)163-80(12)146(234)188-57-27-38-107(188)148(236)189-58-28-39-108(189)147(235)187-56-26-37-106(187)143(231)179-100(69-190)121(155)209/h15-19,29-32,65,74-80,84,86-108,119-120,159,190-193H,14,20-28,33-64,66-73,150-152H2,1-13H3,(H2,153,194)(H2,154,195)(H2,155,209)(H,160,196)(H,161,212)(H,162,213)(H,163,197)(H,164,214)(H,165,222)(H,166,227)(H,167,215)(H,168,216)(H,169,218)(H,170,219)(H,171,229)(H,172,232)(H,173,233)(H,174,211)(H,175,217)(H,176,225)(H,177,223)(H,178,220)(H,179,231)(H,180,228)(H,181,224)(H,182,230)(H,183,221)(H,184,210)(H,185,226)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,156,157,158)

InChIKey

DFEYQXZUAHNWDM-UHFFFAOYSA-N

Compound name

4-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2-amino-3-carboxy-1-hydroxypropylidene)amino]-1-hydroxy-4-methylpentylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-methylsulfanylpropylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-5-[1-[1-[1-[1-[1-[1-[1-[1-[1-[6-amino-1-[1-[2-[2-[2-[N-[1-[1-[2-[1-[2-[2-[2-[N-(1,3-dihydroxy-1-iminopropan-2-yl)-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-2-hydroxyethyl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-5-hydroxypentanoic acid

Related CIDs

• CID 156963372