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CAT No: OPO-019
CAS No: 76622-84-9
Synonyms/Alias: 76622-84-9;delta-Endorphin (human);CID 16133241;Ac-delta-endorphin(human);AC-DELTA-ENDORPHIN (HUMAN);DTXSID80583189;DA-59374;FE108754;PD077128;Tyrosylglycylglycylphenylalanylmethionylthreonylseryl-alpha-glutamyllysylserylglutaminylthreonylprolylleucylvalylthreonylleucylphenylalanyllysylasparaginylalanylisoleucylisoleucyllysylasparaginylalanyltyrosine;
Chemical Name: 5-[[6-amino-1-[[1-[[5-amino-1-[[1-[2-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[4-amino-1-[[1-[[1-[[1-[[6-amino-1-[[4-amino-1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
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M.F/Formula | C139H217N33O40S |
M.W/Mr. | 3022.5 |
Sequence | One Letter Code:YGGFMXSEKSQXPLVXLFKNAXXKNAY Three Letter Code:H-DL-Tyr-Gly-Gly-DL-Phe-DL-Met-DL-xiThr-DL-Ser-DL-Glu-DL-Lys-DL-Ser-DL-Gln-DL-xiThr-DL-Pro-DL-Leu-DL-Val-DL-xiThr-DL-Leu-DL-Phe-DL-Lys-DL-Asn-DL-Ala-DL-xiIle-DL-xiIle-DL-Lys-DL-Asn-DL-Ala-DL-Tyr-OH |
InChI | InChI=1S/C139H217N33O40S/c1-17-73(9)110(134(206)157-89(38-27-30-55-142)119(191)160-97(64-104(145)181)124(196)149-75(11)115(187)163-99(139(211)212)63-83-42-46-85(179)47-43-83)168-135(207)111(74(10)18-2)167-116(188)76(12)150-125(197)98(65-105(146)182)159-118(190)87(36-25-28-53-140)153-128(200)96(62-81-34-23-20-24-35-81)158-126(198)93(58-70(3)4)162-136(208)113(78(14)176)170-133(205)109(72(7)8)166-129(201)94(59-71(5)6)161-132(204)102-39-31-56-172(102)138(210)114(79(15)177)171-122(194)90(48-50-103(144)180)154-130(202)100(68-173)164-120(192)88(37-26-29-54-141)152-121(193)91(49-51-108(185)186)155-131(203)101(69-174)165-137(209)112(77(13)175)169-123(195)92(52-57-213-16)156-127(199)95(61-80-32-21-19-22-33-80)151-107(184)67-147-106(183)66-148-117(189)86(143)60-82-40-44-84(178)45-41-82/h19-24,32-35,40-47,70-79,86-102,109-114,173-179H,17-18,25-31,36-39,48-69,140-143H2,1-16H3,(H2,144,180)(H2,145,181)(H2,146,182)(H,147,183)(H,148,189)(H,149,196)(H,150,197)(H,151,184)(H,152,193)(H,153,200)(H,154,202)(H,155,203)(H,156,199)(H,157,206)(H,158,198)(H,159,190)(H,160,191)(H,161,204)(H,162,208)(H,163,187)(H,164,192)(H,165,209)(H,166,201)(H,167,188)(H,168,207)(H,169,195)(H,170,205)(H,171,194)(H,185,186)(H,211,212) |
InChI Key | CMLHEPBOBGYCBC-UHFFFAOYSA-N |
Canonical SMILES | CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C3CCCN3C(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)C(CC5=CC=C(C=C5)O)N |
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