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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)-3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-L-alaninamide

Catalog ID
STL544980
SMILES CSCC[C@@H](c1nnc2n1cccc2)NC(=O)[C@@H](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 C34H40N6O6S MW 660.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40N6O6S/c1-19(34(43)37-26(14-16-47-6)33-39-38-29-9-7-8-15-40(29)33)35-25-13-11-22-23(18-27(25)42)24(36-20(2)41)12-10-21-17-28(44-3)31(45-4)32(46-5)30(21)22/h7-9,11,13,15,17-19,24,26H,10,12,14,16H2,1-6H3,(H,35,42)(H,36,41)(H,37,43)/t19-,24-,26
InChIKey
FJCVYJRBDWFZBO-YLORPAJWSA-N
Synonyms
1574391-40-4
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1~(S))3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)propanamide
(S)N((S)1((124)triazolo(43a)pyridin3yl)3(methylthio)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamide
1574391404
75491665
CSCC(C@@H)(c1nnc2n1cccc2)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H40N6O6Sc119(34(43)3726(1416476)333938299781540(29)33)352513112223(1827(25)42)24(3620(2)41)1210211728(443)31(454)32(465)30(21)22h7911131517192426H10121416H216H3(H3542)(H3641)(H3743)t192426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1S)3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)Lalaninamide
ZINC000150653411
ZINC150653411

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Available files

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