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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-(1,3-benzodioxol-5-ylmethyl)-L-isoleucinamide

Catalog ID
STL541416
SMILES CC[C@H]([C@@H](C(=O)NCc1ccc2c(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 C35H41N3O8 MW 631.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O8/c1-7-19(2)32(35(41)36-17-21-8-13-28-29(14-21)46-18-45-28)38-26-12-10-23-24(16-27(26)40)25(37-20(3)39)11-9-22-15-30(42-4)33(43-5)34(44-6)31(22)23/h8,10,12-16,19,25,32H,7,9,11,17-18H2,1-6H3,(H,36,41)(H,37,39)(H,38,40)/t19-,25+,32+/m1/s1
InChIKey
GCBQHTISMHPLHR-RNUBLEDQSA-N
Synonyms
1574392-91-8
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzodioxol5ylmethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(benzo(d)(13)dioxol5ylmethyl)3methylpentanamide
1574392918
75491139
CC(C@H)((C@@H)(C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H41N3O8c1719(2)32(35(41)3617218132829(1421)46184528)382612102324(1627(26)40)25(3720(3)39)119221530(424)33(435)34(446)31(22)23h8101216192532H79111718H216H3(H3641)(H3739)(H3840)t1925+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(13benzodioxol5ylmethyl)Lisoleucinamide
ZINC000108447804
ZINC108447804

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Available files

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