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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-(tetrahydro-2H-pyran-4-ylmethyl)-L-isoleucinamide

Catalog ID
STL541052
SMILES CC[C@H]([C@@H](C(=O)NCC1CCOCC1)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 C33H45N3O7 MW 595.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O7/c1-7-19(2)30(33(39)34-18-21-12-14-43-15-13-21)36-26-11-9-23-24(17-27(26)38)25(35-20(3)37)10-8-22-16-28(40-4)31(41-5)32(42-6)29(22)23/h9,11,16-17,19,21,25,30H,7-8,10,12-15,18H2,1-6H3,(H,34,39)(H,35,37)(H,36,38)/t19-,25+,30+/m1/s1
InChIKey
NBUVLDWCAWCQKO-PFTPNIEWSA-N
Synonyms
1574345-34-8
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(oxan4ylmethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN((tetrahydro2Hpyran4yl)methyl)pentanamide
1574345348
75491328
CC(C@H)((C@@H)(C(=O)NCC1CCOCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H45N3O7c1719(2)30(33(39)341821121443151321)36261192324(1727(26)38)25(3520(3)37)108221628(404)31(415)32(426)29(22)23h911161719212530H7810121518H216H3(H3439)(H3537)(H3638)t1925+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(tetrahydro2Hpyran4ylmethyl)Lisoleucinamide
ZINC000108448342
ZINC108448342

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Available files

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