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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-(6-bromo-1H-indol-1-yl)ethyl]-L-isoleucinamide

Catalog ID
STL546769
SMILES CC[C@H]([C@@H](C(=O)NCCn1ccc2c1cc(Br)cc2)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 C37H43BrN4O6 MW 719.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H43BrN4O6/c1-7-21(2)34(37(45)39-15-17-42-16-14-23-8-10-25(38)19-30(23)42)41-29-13-11-26-27(20-31(29)44)28(40-22(3)43)12-9-24-18-32(46-4)35(47-5)36(48-6)33(24)26/h8,10-11,13-14,16,18-21,28,34H,7,9,12,15,17H2,1-6H3,(H,39,45)(H,40,43)(H,41,44)/t2
InChIKey
LSALREAKFJRXRK-VXNMCKACSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(6bromoindol1yl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(6bromo1Hindol1yl)ethyl)3methylpentanamide
110207741
CC(C@H)((C@@H)(C(=O)NCCn1ccc2c1cc(Br)cc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H43BrN4O6c1721(2)34(37(45)3915174216142381025(38)1930(23)42)412913112627(2031(29)44)28(4022(3)43)129241832(464)35(475)36(486)33(24)26h8101113141618212834H79121517H216H3(H3945)(H4043)(H4144)t2128+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(6bromo1Hindol1yl)ethyl)Lisoleucinamide
ZINC000253409361
ZINC253409361

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Available files

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