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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-(2,3-dihydro-1,4-benzodioxin-6-yl)-L-valinamide

Catalog ID
STL539968
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C34H39N3O8 MW 617.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O8/c1-18(2)31(34(40)36-21-8-12-27-28(16-21)45-14-13-44-27)37-25-11-9-22-23(17-26(25)39)24(35-19(3)38)10-7-20-15-29(41-4)32(42-5)33(43-6)30(20)22/h8-9,11-12,15-18,24,31H,7,10,13-14H2,1-6H3,(H,35,38)(H,36,40)(H,37,39)/t24-,31-/m0/s1
InChIKey
CONMCAJQSDRJJW-DLLPINGYSA-N
Synonyms
1574360-43-2
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(23dihydro14benzodioxin6yl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(23dihydrobenzo(b)(14)dioxin6yl)3methylbutanamide
1574360432
75491742
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)OCCO3)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H39N3O8c118(2)31(34(40)36218122728(1621)4514134427)37251192223(1726(25)39)24(3519(3)38)107201529(414)32(425)33(436)30(20)22h89111215182431H7101314H216H3(H3538)(H3640)(H3739)t2431m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(23dihydro14benzodioxin6yl)Lvalinamide
ZINC000108449409
ZINC108449409

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Available files

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