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N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(2-cyclopentylethyl)-1H-1,2,4-triazol-5-yl]isoleucinamide

Catalog ID
STL549817
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)CCC1CCCC1)Nc1ccc2c(cc1=O)C(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 C36H48N6O6 MW 660.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H48N6O6/c1-7-20(2)32(35(45)40-36-39-30(41-42-36)17-12-22-10-8-9-11-22)38-27-16-14-24-25(19-28(27)44)26(37-21(3)43)15-13-23-18-29(46-4)33(47-5)34(48-6)31(23)24/h14,16,18-20,22,26,32H,7-13,15,17H2,1-6H3,(H,37,43)(H,38,44)(H2,39,40,41,42,45)
InChIKey
BVMLCXLUJCAZQK-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(2cyclopentylethyl)1H124triazol3yl)3methylpentanamide
132285902
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2cyclopentylethyl)1~(H)124triazol3yl)3methylpentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(n1)CCC1CCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC36H48N6O6c1720(2)32(35(45)40363930(414236)17122210891122)382716142425(1928(27)44)26(3721(3)43)1513231829(464)33(475)34(486)31(23)24h14161820222632H7131517H216H3(H3743)(H3844)(H23940414245)
MFCD31757223
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2cyclopentylethyl)1H124triazol5yl)isoleucinamide
ZINC000888089000
ZINC000888089003

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Available files

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