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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-(1,3-benzodioxol-5-yloxy)ethyl]-L-isoleucinamide

Catalog ID
STL547799
SMILES CC[C@H]([C@@H](C(=O)NCCOc1ccc2c(c1)OCO2)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 C36H43N3O9 MW 661.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N3O9/c1-7-20(2)33(36(42)37-14-15-46-23-9-13-29-30(17-23)48-19-47-29)39-27-12-10-24-25(18-28(27)41)26(38-21(3)40)11-8-22-16-31(43-4)34(44-5)35(45-6)32(22)24/h9-10,12-13,16-18,20,26,33H,7-8,11,14-15,19H2,1-6H3,(H,37,42)(H,38,40)(H,39,41)/t20-
InChIKey
UTEGAUDSEYDCHE-UMPYMBDESA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(13benzodioxol5yloxy)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(benzo(d)(13)dioxol5yloxy)ethyl)3methylpentanamide
110206763
CC(C@H)((C@@H)(C(=O)NCCOc1ccc2c(c1)OCO2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H43N3O9c1720(2)33(36(42)37141546239132930(1723)48194729)392712102425(1828(27)41)26(3821(3)40)118221631(434)34(445)35(456)32(22)24h91012131618202633H7811141519H216H3(H3742)(H3840)(H3941)t2026+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(13benzodioxol5yloxy)ethyl)Lisoleucinamide
ZINC000253413420
ZINC253413420

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Available files

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