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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-(pyridin-2-yl)ethyl]-L-isoleucinamide

Catalog ID
STL543363
SMILES CC[C@H]([C@@H](C(=O)NCCc1ccccn1)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 C34H42N4O6 MW 602.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N4O6/c1-7-20(2)31(34(41)36-17-15-23-10-8-9-16-35-23)38-27-14-12-24-25(19-28(27)40)26(37-21(3)39)13-11-22-18-29(42-4)32(43-5)33(44-6)30(22)24/h8-10,12,14,16,18-20,26,31H,7,11,13,15,17H2,1-6H3,(H,36,41)(H,37,39)(H,38,40)/t20-,26+,31+/m1/s1
InChIKey
SMMRQUAEEUTOEL-JLNKLKRXSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2pyridin2ylethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(pyridin2yl)ethyl)pentanamide
110206844
CC(C@H)((C@@H)(C(=O)NCCc1ccccn1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H42N4O6c1720(2)31(34(41)361715231089163523)382714122425(1928(27)40)26(3721(3)39)1311221829(424)32(435)33(446)30(22)24h81012141618202631H711131517H216H3(H3641)(H3739)(H3840)t2026+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(pyridin2yl)ethyl)Lisoleucinamide
ZINC000253412927
ZINC253412927

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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