Amylin (human), Endogenous peptide

주요 정보

CAS 번호

106602-62-4

Purity

>95%

Molecular weight

3903.3 Da

Molecular formula

C₁₆₅H₂₆₁N₅₁O₅₅S₂

PubChem

16132430

Nature

Synthetic

Solubility

Soluble in water (5 mg/mL)

생화학적 명칭

Amlintide

Canonical 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)N)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)

Isomeric SMILES

CC[C@H](C)[C@@H](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@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)[C@@H](C)O)C)[C@@H](C)O)CC(=O)N)NC(=O)[C@H](CCCCN)N

InChi

InChI=1S/C165H261N51O55S2/c1-22-75(12)124(159(266)200-95(47-71(4)5)140(247)203-108(64-219)153(260)206-110(66-221)154(261)216-129(84(21)226)163(270)202-105(58-119(174)234)147(254)209-122(73(8)9)157(264)181-61-121(236)187-106(62-217)150(257)198-103(56-117(172)232)148(255)215-128(83(20)225)162(269)190-93(130(175)237)49-87-38-40-89(227)41-39-87)211-132(239)76(13)183-120(235)60-180-136(243)97(50-85-32-25-23-26-33-85)194-144(251)101(54-115(170)230)196-145(252)102(55-116(171)231)197-151(258)107(63-218)205-152(259)109(65-220)204-142(249)99(52-88-59-178-69-182-88)201-158(265)123(74(10)11)210-146(253)96(48-72(6)7)193-141(248)98(51-86-34-27-24-28-35-86)195-143(250)100(53-114(169)229)191-131(238)77(14)184-139(246)94(46-70(2)3)192-137(244)91(37-31-45-179-165(176)177)188-138(245)92(42-43-113(168)228)189-161(268)126(81(18)223)212-133(240)78(15)185-155(262)111-67-272-273-68-112(207-135(242)90(167)36-29-30-44-166)156(263)199-104(57-118(173)233)149(256)214-125(80(17)222)160(267)186-79(16)134(241)213-127(82(19)224)164(271)208-111/h23-28,32-35,38-41,59,69-84,90-112,122-129,217-227H,22,29-31,36-37,42-58,60-68,166-167H2,1-21H3,(H2,168,228)(H2,169,229)(H2,170,230)(H2,171,231)(H2,172,232)(H2,173,233)(H2,174,234)(H2,175,237)(H,178,182)(H,180,243)(H,181,264)(H,183,235)(H,184,246)(H,185,262)(H,186,267)(H,187,236)(H,188,245)(H,189,268)(H,190,269)(H,191,238)(H,192,244)(H,193,248)(H,194,251)(H,195,250)(H,196,252)(H,197,258)(H,198,257)(H,199,263)(H,200,266)(H,201,265)(H,202,270)(H,203,247)(H,204,249)(H,205,259)(H,206,260)(H,207,242)(H,208,271)(H,209,254)(H,210,253)(H,211,239)(H,212,240)(H,213,241)(H,214,256)(H,215,255)(H,216,261)(H4,176,177,179)/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/s1

InChiKey

PLOPBXQQPZYQFA-AXPWDRQUSA-N

IUPAC Name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2S,3R)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,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]pentanediamide