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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-(1,3-benzodioxol-5-ylmethyl)-L-valinamide

Catalog ID
STL541484
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NCc1ccc2c(c1)OCO2)C(C)C)NC(=O)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 C34H39N3O8 MW 617.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O8/c1-18(2)31(34(40)35-16-20-7-12-27-28(13-20)45-17-44-27)37-25-11-9-22-23(15-26(25)39)24(36-19(3)38)10-8-21-14-29(41-4)32(42-5)33(43-6)30(21)22/h7,9,11-15,18,24,31H,8,10,16-17H2,1-6H3,(H,35,40)(H,36,38)(H,37,39)/t24-,31-/m0/s1
InChIKey
IFTXTNSQOVNKMO-DLLPINGYSA-N
Synonyms
1574390-40-1
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzodioxol5ylmethyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(benzo(d)(13)dioxol5ylmethyl)3methylbutanamide
1574390401
75491724
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)NCc1ccc2c(c1)OCO2)C(C)C)NC(=O)C
InChI=1SC34H39N3O8c118(2)31(34(40)3516207122728(1320)45174427)37251192223(1526(25)39)24(3619(3)38)108211429(414)32(425)33(436)30(21)22h791115182431H8101617H216H3(H3540)(H3638)(H3739)t2431m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(13benzodioxol5ylmethyl)Lvalinamide
ZINC000108449336
ZINC108449336

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Available files

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