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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-(3,3-diphenylpropyl)-L-isoleucinamide

Catalog ID
STL546982
SMILES CC[C@H]([C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)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 C42H49N3O6 MW 691.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H49N3O6/c1-7-26(2)39(42(48)43-23-22-31(28-14-10-8-11-15-28)29-16-12-9-13-17-29)45-35-21-19-32-33(25-36(35)47)34(44-27(3)46)20-18-30-24-37(49-4)40(50-5)41(51-6)38(30)32/h8-17,19,21,24-26,31,34,39H,7,18,20,22-23H2,1-6H3,(H,43,48)(H,44,46)(H,45,4
InChIKey
YVKAWGBKGMVSPA-FARVUFJHSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(33diphenylpropyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(33diphenylpropyl)3methylpentanamide
121541677
CC(C@H)((C@@H)(C(=O)NCCC(c1ccccc1)c1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC42H49N3O6c1726(2)39(42(48)43232231(2814108111528)2916129131729)453521193233(2536(35)47)34(4427(3)46)2018302437(494)40(505)41(516)38(30)32h81719212426313439H718202223H216H3(H4348)(H4446)(H4547)t2634+39+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(33diphenylpropyl)Lisoleucinamide
ZINC000263586857
ZINC263586857

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Available files

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