Nombre: amylin
IUPAC: (2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(4R,7S,10S,13S,16R,19R)-16-(2-amino-2-oxoethyl)-19-[[(2S)-2,6-diaminohexanoyl]amino]-7,13-bis[(1R)-1-hydroxyethyl]-10-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)OCanonical SMILES:
CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C5CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N5)C(C)O)C)C(C)O)CC(=O)N)NC(=O)C(CCCCN)NFórmula molecular: C165H260N50O56S2
Masa molecular: 3904.30
InChIKey: OQOHVUMWRQUZQC-YYVAPWOASA-N
InChI:
PubChem CID: 73355059 →InChI=1S/C165H260N50O56S2/c1-22-75(12)124(158(264)198-94(47-71(4)5)139(245)202-108(64-218)152(258)205-110(66-220)153(259)215-128(83(20)224)161(267)200-104(58-119(174)233)146(252)208-122(73(8)9)156(262)180-61-121(235)186-106(62-216)149(255)196-102(56-117(172)231)147(253)214-129(84(21)225)162(268)201-105(164(270)271)51-87-38-40-89(226)41-39-87)210-131(237)76(13)182-120(234)60-179-135(241)96(49-85-32-25-23-26-33-85)192-143(249)100(54-115(170)229)194-144(250)101(55-116(171)230)195-150(256)107(63-217)204-151(257)109(65-219)203-141(247)98(52-88-59-177-69-181-88)199-157(263)123(74(10)11)209-145(251)95(48-72(6)7)191-140(246)97(50-86-34-27-24-28-35-86)193-142(248)99(53-114(169)228)189-130(236)77(14)183-138(244)93(46-70(2)3)190-136(242)91(37-31-45-178-165(175)176)187-137(243)92(42-43-113(168)227)188-160(266)126(81(18)222)211-132(238)78(15)184-154(260)111-67-272-273-68-112(206-134(240)90(167)36-29-30-44-166)155(261)197-103(57-118(173)232)148(254)213-125(80(17)221)159(265)185-79(16)133(239)212-127(82(19)223)163(269)207-111/h23-28,32-35,38-41,59,69-84,90-112,122-129,216-226H,22,29-31,36-37,42-58,60-68,166-167H2,1-21H3,(H2,168,227)(H2,169,228)(H2,170,229)(H2,171,230)(H2,172,231)(H2,173,232)(H2,174,233)(H,177,181)(H,179,241)(H,180,262)(H,182,234)(H,183,244)(H,184,260)(H,185,265)(H,186,235)(H,187,243)(H,188,266)(H,189,236)(H,190,242)(H,191,246)(H,192,249)(H,193,248)(H,194,250)(H,195,256)(H,196,255)(H,197,261)(H,198,264)(H,199,263)(H,200,267)(H,201,268)(H,202,245)(H,203,247)(H,204,257)(H,205,258)(H,206,240)(H,207,269)(H,208,252)(H,209,251)(H,210,237)(H,211,238)(H,212,239)(H,213,254)(H,214,253)(H,215,259)(H,270,271)(H4,175,176,178)/t75-,76-,77-,78-,79-,80+,81+,82+,83+,84+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,122-,123-,124-,125-,126-,127-,128-,129-/m0/s1Sinónimos
CHEMBL2401866SCHEMBL29351499OQOHVUMWRQUZQC-YYVAPWOASA-N
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