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ethyl 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)-L-leucyl-L-tyrosinate

Catalog ID
STL532285
SMILES CCOC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3)CC(C)C)Cc1ccc(cc1)O

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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 C36H52N2O11 MW 688.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H52N2O11/c1-7-44-32(43)28(19-23-9-11-24(39)12-10-23)38-31(42)27(18-20(2)3)37-29(40)14-15-30(41)45-33-22(5)26-13-8-21(4)25-16-17-35(6)47-34(46-33)36(25,26)49-48-35/h9-12,20-22,25-28,33-34,39H,7-8,13-19H2,1-6H3,(H,37,40)(H,38,42)/t21-,22-,25+,26
InChIKey
CABHISDNAQUMTE-DXOPQZPXSA-N
Synonyms
956156-95-9
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4(((S)1(((S)1ethoxy3(4hydroxyphenyl)1oxopropan2yl)amino)4methyl1oxopentan2yl)amino)4oxobutanoate
956156959
CCOC(=O)(C@@H)(NC(=O)(C@@H)(NC(=O)CCC(=O)O(C@@H)1O(C@@H)2O(C@@)3(C)CC(C@@H)4(C@)2((C@H)((C@H)1C)CC(C@H)4C)OO3)CC(C)C)Cc1ccc(cc1)O
ethylN(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)LleucylLtyrosinate
InChI=1SC36H52N2O11c174432(43)28(192391124(39)121023)3831(42)27(1820(2)3)3729(40)141530(41)453322(5)2613821(4)25161735(6)4734(4633)36(2526)494835h91220222528333439H781319H216H3(H3740)(H3842)t212225+26+27+28+33343536m1s1
MFCD07637457
ZINC000150361764

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Available files

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