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N-(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)methionine

Catalog ID
STL562889
SMILES CSCCC(C(=O)O)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H37NO9S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H37NO9S/c1-13-5-6-16-14(2)21(31-22-24(16)15(13)9-11-23(3,32-22)33-34-24)30-19(27)8-7-18(26)25-17(20(28)29)10-12-35-4/h13-17,21-22H,5-12H2,1-4H3,(H,25,26)(H,28,29)/t13-,14-,15+,16+,17?,21-,22-,23?,24?/m1/s1
InChIKey
AZFUPQMDKQZSAV-AEZSHEJYSA-N
Synonyms

16402341
4(methylthio)2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanoicacid
4methylsulfanyl2((4oxo4(((4S5R8S9R10S12R)159trimethyl11141516tetraoxatetracyclo(103104130813)hexadecan10yl)oxy)butanoyl)amino)butanoicacid
CSCCC(C(=O)O)NC(=O)CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
InChI=1SC24H37NO9Sc113561614(2)21(312224(16)15(13)91123(33222)333424)3019(27)8718(26)2517(20(28)29)1012354h13172122H512H214H3(H2526)(H2829)t131415+16+17?212223?24?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)methionine
ZINC000100768940
ZINC000106362031

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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