CAS No.851199-59-2,Linaclotide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	851199-59-2
Name:	Linaclotide

Formula:	C₅₉H₇₉N₁₅O₂₁S₆
Molecular Weight:	1526.76
Synonyms:	UNII-N0TXR0XR5X;Linaclotide [USAN];
Density:	1.60
Boiling Point:	2045.0±65.0 °C(Predicted)
PSA:	725.71000
LogP:	-0.59300

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Specification

The Linaclotide, with the CAS registry number 851199-59-2, is also known as UNII-N0TXR0XR5X. This chemical's molecular formula is C₅₉H₇₉N₁₅O₂₁S₆ and molecular weight is 1526.74. What's more, its classification code is Treatment of irritable bowel syndrome with constipation [IB-C], chronic constipation and other gastrointestinal disorders. Linaclotide is an experimental peptide agonist of guanylate cyclase 2C that is undergoing clinical trials for use in treating abdominal pain in patients with irritable bowel syndrome accompanied by constipation.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)NC(CSSCC(C(=O)N3)N)C(=O)NC(C(=O)N5CCCC5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O
(2)Isomeric SMILES: C[C@H]1C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O)C(=O)N[C@@H](CSSC[C@@H](C(=O)N3)N)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O
(3)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
(4)InChIKey: KXGCNMMJRFDFNR-WDRJZQOASA-N