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AG00G3R9

851199-59-2 | Linaclotide

Chemical structure of Linaclotide, CAS 851199-59-2
AG00G3R9
sdsSDS
sdsCOA
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CAS Number 851199-59-2
Catalog Number AG00G3R9(AGN-PC-0UXRBV)
Chemical Name Linaclotide
IUPAC Name (2S)-2-[[(1R,4S,7S,13S,16R,21R,24R,27S,30S,33R,38R,44S)-21-amino-13-(2-amino-2-oxoethyl)-27-(2-carboxyethyl)-44-[(1R)-1-hydroxyethyl]-30-[(4-hydroxyphenyl)methyl]-4-methyl-3,6,12,15,22,25,28,31,40,43,46,51-dodecaoxo-18,19,35,36,48,49-hexathia-2,5,11,14,23,26,29,32,39,42,45,52-dodecazatetracyclo[22.22.4.216,33.07,11]dopentacontane-38-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
InChI Key KXGCNMMJRFDFNR-WDRJZQOASA-N
MDL Number MFCD20526656
Molecular Formula C59H79N15O21S6
Molecular Weight 1526.7365
SMILES O=C([C@@H](NC([C@@](CSSC[C@@H]2N)([H])N[C@]([C@@](CSSC[C@H](N4)[C@](N[C@H](C(O)=O)CC6=CC=C(O)C=C6)=O)([H])NC([C@@H](NC([C@H](N5)CCC(O)=O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)CC(N)=O)N1[C@@](C(N[C@H](C(N[C@](CSSC[C@](C5=O)([H])NC2=O)([H])C(NC(C(NCC4=O)=O)[C@H](O)C)=O)=O)C)=O)([H])CCC1
Synonyms
ASP-0456, ASP0456, linaclotide, Linaclotide Acetate, Linzess, MD-1100, MD-1100 acetate, Linaclotide, Linzess, 851199-59-2, CHEBI:68551, rosine, Constella (TN), Linzess (TN), Linaclotide (JAN/USAN), Linaclotide [USAN:INN], CHEMBL3301675, SCHEMBL13114620, HSDB 8224, DTXSID90234256, ASP 0456, DB08890, L-Tyrosine, L-cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (1->6),(2->10),(5->13)-tris(disulfide), D09355, ((3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,3, 8,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carbonyl)-L-ty, Cys Cys Glu Tyr Cys Cys Asn Pro Ala Cys Thr Gly Cys Tyr (disulfide bridge: 1-6; 2-10; 5-13), L-cysteinyl-L-cysteinyl-L-alpha-glutamyl-L-tyrosyl-L-cysteinyl-L-cysteinyl-L-asparaginyl-L-prolyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-tyrosine cyclic (1->6),(2->10),(5->13)-tris(disulfide), Linaclotide acetate, Constella, Linaelotide Acetate, MD-1100 acetate, Linaclotide (USAN), UNII-N0TXR0XR5X, N0TXR0XR5X, D00GNJ, ASP0456, ASP-0456, MD-1100, ACN-057305, C523483,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited