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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-(2,3-dihydro-1,4-benzodioxin-2-yl)-1H-1,2,4-triazol-5-yl]isoleucinamide

Catalog ID
STL549364
SMILES CCC(C(C(=O)Nc1[nH]nc(n1)C1COc2c(O1)cccc2)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 C37H42N6O8 MW 698.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N6O8/c1-7-19(2)32(36(46)41-37-40-35(42-43-37)30-18-50-27-10-8-9-11-28(27)51-30)39-25-15-13-22-23(17-26(25)45)24(38-20(3)44)14-12-21-16-29(47-4)33(48-5)34(49-6)31(21)22/h8-11,13,15-17,19,24,30,32H,7,12,14,18H2,1-6H3,(H,38,44)(H,39,45)(H2,40,
InChIKey
ZYVFTVFIZKEGCD-UHFFFAOYSA-N
Synonyms

(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(23dihydrobenzo(b)(14)dioxin2yl)1H124triazol3yl)3methylpentanamide
132286152
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(23dihydro14benzodioxin3yl)1~(H)124triazol3yl)3methylpentanamide
CC(C@H)((C@@H)(C(=O)Nc1n(nH)c(n1)C1COc2c(O1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H42N6O8c1719(2)32(36(46)41374035(424337)3018502710891128(27)5130)392515132223(1726(25)45)24(3820(3)44)1412211629(474)33(485)34(496)31(21)22h81113151719243032H7121418H216H3(H3844)(H3945)(H24041424346)
MFCD31756945
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(23dihydro14benzodioxin2yl)1H124triazol5yl)isoleucinamide
ZINC000888089701
ZINC000888089704

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Available files

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