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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-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-L-isoleucinamide

Catalog ID
STL548270
SMILES CC[C@H]([C@@H](C(=O)N[C@H](c1nnc2n1cccc2)C)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 C35H42N6O6 MW 642.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N6O6/c1-8-19(2)31(35(44)36-20(3)34-40-39-29-11-9-10-16-41(29)34)38-26-15-13-23-24(18-27(26)43)25(37-21(4)42)14-12-22-17-28(45-5)32(46-6)33(47-7)30(22)23/h9-11,13,15-20,25,31H,8,12,14H2,1-7H3,(H,36,44)(H,37,42)(H,38,43)/t19-,20+,25+,31+/m1/s
InChIKey
UNNYVIWYGWUQIZ-CMLWAIFKSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1~(S))1((124)triazolo(43a)pyridin3yl)ethyl)pentanamide
(2S3R)N((S)1((124)triazolo(43a)pyridin3yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
110206716
CC(C@H)((C@@H)(C(=O)N(C@H)(c1nnc2n1cccc2)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H42N6O6c1819(2)31(35(44)3620(3)34403929119101641(29)34)382615132324(1827(26)43)25(3721(4)42)1412221728(455)32(466)33(477)30(22)23h9111315202531H81214H217H3(H3644)(H3742)(H3843)t1920+25+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)1((124)triazolo(43a)pyridin3yl)ethyl)Lisoleucinamide
ZINC000253413333
ZINC253413333

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Available files

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