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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-L-isoleucinamide

Catalog ID
STL546845
SMILES CC[C@H]([C@@H](C(=O)NCC1COc2c(O1)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C36H43N3O8 MW 645.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N3O8/c1-7-20(2)33(36(42)37-18-23-19-46-29-10-8-9-11-30(29)47-23)39-27-15-13-24-25(17-28(27)41)26(38-21(3)40)14-12-22-16-31(43-4)34(44-5)35(45-6)32(22)24/h8-11,13,15-17,20,23,26,33H,7,12,14,18-19H2,1-6H3,(H,37,42)(H,38,40)(H,39,41)/t20-,23?,
InChIKey
UCOPJARRKFYEKZ-KDOFDUGQSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(23dihydro14benzodioxin3ylmethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((23dihydrobenzo(b)(14)dioxin2yl)methyl)3methylpentanamide
121541531
CC(C@H)((C@@H)(C(=O)NCC1COc2c(O1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H43N3O8c1720(2)33(36(42)37182319462910891130(29)4723)392715132425(1728(27)41)26(3821(3)40)1412221631(434)34(445)35(456)32(22)24h81113151720232633H712141819H216H3(H3742)(H3840)(H3941)t2023?26+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(23dihydro14benzodioxin2ylmethyl)Lisoleucinamide
ZINC000263586402
ZINC000263586403

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Available files

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