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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-(thiomorpholin-4-ylsulfonyl)ethyl]-L-isoleucinamide

Catalog ID
STL549060
SMILES CC[C@H]([C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)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 C33H46N4O8S2 MW 690.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H46N4O8S2/c1-7-20(2)30(33(40)34-12-17-47(41,42)37-13-15-46-16-14-37)36-26-11-9-23-24(19-27(26)39)25(35-21(3)38)10-8-22-18-28(43-4)31(44-5)32(45-6)29(22)23/h9,11,18-20,25,30H,7-8,10,12-17H2,1-6H3,(H,34,40)(H,35,38)(H,36,39)/t20-,25+,30+/m1/s1
InChIKey
OEDRHIPKUUDDGY-MOXKEGGMSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2thiomorpholin4ylsulfonylethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(thiomorpholinosulfonyl)ethyl)pentanamide
121541770
CC(C@H)((C@@H)(C(=O)NCCS(=O)(=O)N1CCSCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H46N4O8S2c1720(2)30(33(40)34121747(4142)37131546161437)36261192324(1927(26)39)25(3521(3)38)108221828(434)31(445)32(456)29(22)23h91118202530H78101217H216H3(H3440)(H3538)(H3639)t2025+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(thiomorpholin4ylsulfonyl)ethyl)Lisoleucinamide
ZINC000263585953
ZINC263585953

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Available files

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