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Acetylated Linaclotide

SZ CAT No SZ-L076005
CAS No NA
Mol.F. C66H89N13O24S6
Mol.Wt. 1640.9
Inv. Status Custom Synthesis


Chemical Name: 3-(25-Acetamido-6-((1-carboxy-2-(4-hydroxyphenyl)ethyl)carbamoyl)-38-(2-carboxyethyl)-35-(4-hydroxybenzyl)-12-(1-hydroxyethyl)-8,11,14,22,24,32,34,37,40-nonaoxo-15-(2-propionamidopropanamido)-3,4,17,18,27,28-hexathia-7,10,13,23,31,33,36,39-octaazabicyclo[18.12.8]tetracontane-30-carboxamido)-4-cyclopentyl-4-oxobutanoic acid

Smiles: OC1=CC=C(CC(NC(C(NC(CNC(C(C(O)C)NC(C(CSSCC(CC(N2)=O)C3=O)NC(C(NC(CC)=O)C)=O)=O)=O)=O)CSSCC(NC(C(NC(C(N3)CCC(O)=O)=O)CC4=CC=C(O)C=C4)=O)C(NC(CSSCC(NC(C)=O)C2=O)C(NC(CC(O)=O)C(C5CCCC5)=O)=O)=O)=O)C(O)=O)C=C1

Inchi: InChI=1S/C59H78N14O22S6/c1-26-47(82)68-41-25-101-99-22-38-52(87)64-33(13-14-44(78)79)49(84)65-34(16-28-5-9-30(75)10-6-28)50(85)70-40(54(89)71-39(23-97-96-20-32(60)48(83)69-38)53(88)66-35(18-45(80)81)58(93)73-15-3-4-42(73)56(91)62-26)24-100-98-21-37(63-43(77)19-61-57(92)46(27(2)74)72-55(41)90)51(86)67-36(59(94)95)17-29-7-11-31(76)12-8-29/h5-12,26-27,32-42,46,74-76H,3-4,13-25,60H2,1-2H3,(H,61,92)(H,62,91)(H,63,77)(H,64,87)(H,65,84)(H,66,88)(H,67,86)(H,68,82)(H,69,83)(H,70,85)(H,71,89)(H,72,90)(H,78,79)(H,80,81)(H,94,95)/t26-,27+,32?,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1