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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-(pyridin-4-ylmethyl)-L-isoleucinamide

Catalog ID
STL542360
SMILES CC[C@H]([C@@H](C(=O)NCc1ccncc1)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 C33H40N4O6 MW 588.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O6/c1-7-19(2)30(33(40)35-18-21-12-14-34-15-13-21)37-26-11-9-23-24(17-27(26)39)25(36-20(3)38)10-8-22-16-28(41-4)31(42-5)32(43-6)29(22)23/h9,11-17,19,25,30H,7-8,10,18H2,1-6H3,(H,35,40)(H,36,38)(H,37,39)/t19-,25+,30+/m1/s1
InChIKey
CHLNKOXWLDNAAG-PFTPNIEWSA-N
Synonyms
1574344-67-4
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(pyridin4ylmethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(pyridin4ylmethyl)pentanamide
1574344674
75491955
CC(C@H)((C@@H)(C(=O)NCc1ccncc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H40N4O6c1719(2)30(33(40)351821121434151321)37261192324(1727(26)39)25(3620(3)38)108221628(414)31(425)32(436)29(22)23h91117192530H781018H216H3(H3540)(H3638)(H3739)t1925+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(pyridin4ylmethyl)Lisoleucinamide
ZINC000108449920
ZINC108449920

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Available files

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