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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-6-yl)-L-isoleucinamide

Catalog ID
STL550691
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc2c(c1)OCCO2)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)37-22-9-13-28-29(17-22)46-15-14-45-28)38-26-12-10-23-24(18-27(26)40)25(36-20(3)39)11-8-21-16-30(42-4)33(43-5)34(44-6)31(21)23/h9-10,12-13,16-19,25,32H,7-8,11,14-15H2,1-6H3,(H,36,39)(H,37,41)(H,38,40)/t19-,25+,32+/m1/
InChIKey
KUYHEHWFCCORIK-RNUBLEDQSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(23dihydro14benzodioxin6yl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(23dihydrobenzo(b)(14)dioxin6yl)3methylpentanamide
127253650
CC(C@H)((C@@H)(C(=O)Nc1ccc2c(c1)OCCO2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H41N3O8c1719(2)32(35(41)37229132829(1722)4615144528)382612102324(1827(26)40)25(3620(3)39)118211630(424)33(435)34(446)31(21)23h910121316192532H78111415H216H3(H3639)(H3741)(H3840)t1925+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(23dihydro14benzodioxin6yl)Lisoleucinamide
ZINC000604404190
ZINC604404190

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Available files

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