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methyl 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-tryptophanate

Catalog ID
STL533065
SMILES COC(=O)[C@H](Cc1c[nH]c2c1cccc2)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

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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 C37H51N3O10 MW 697.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H51N3O10/c1-20(2)17-28(32(43)40-29(33(44)45-6)18-23-19-38-27-10-8-7-9-24(23)27)39-30(41)13-14-31(42)46-34-22(4)26-12-11-21(3)25-15-16-36(5)48-35(47-34)37(25,26)50-49-36/h7-10,19-22,25-26,28-29,34-35,38H,11-18H2,1-6H3,(H,39,41)(H,40,43)/t21-,22
InChIKey
BVCUPTBAAAJJEE-PCLOFTCLSA-N
Synonyms
956817-91-7
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4(((S)1(((S)3(1Hindol3yl)1methoxy1oxopropan2yl)amino)4methyl1oxopentan2yl)amino)4oxobutanoate
956817917
COC(=O)(C@H)(Cc1c(nH)c2c1cccc2)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
InChI=1SC37H51N3O10c120(2)1728(32(43)4029(33(44)456)18231938271087924(23)27)3930(41)131431(42)463422(4)26121121(3)25151636(5)4835(4734)37(2526)504936h710192225262829343538H1118H216H3(H3941)(H4043)t212225+26+28+29+34353637m1s1
methylN(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)LleucylLtryptophanate
MFCD07637466
ZINC000150361777

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Available files

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