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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-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-methioninamide

Catalog ID
STL541718
SMILES CSCC[C@@H](C(=O)NCC1CC2CC1C=C2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C34H43N3O6S MW 621.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43N3O6S/c1-19(38)36-26-10-8-22-16-30(41-2)32(42-3)33(43-4)31(22)24-9-11-27(29(39)17-25(24)26)37-28(12-13-44-5)34(40)35-18-23-15-20-6-7-21(23)14-20/h6-7,9,11,16-17,20-21,23,26,28H,8,10,12-15,18H2,1-5H3,(H,35,40)(H,36,38)(H,37,39)/t20?,21?,23?,
InChIKey
JXUCBKUMVAOMPL-MVVFSVBESA-N
Synonyms
1574252-43-9
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2bicyclo(221)hept5enylmethyl)4methylsulfanylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2R)bicyclo(221)hept5en2ylmethyl)4(methylthio)butanamide
1574252439
75491263
CSCC(C@@H)(C(=O)NCC1CC2CC1C=C2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H43N3O6Sc119(38)3626108221630(412)32(423)33(434)31(22)2491127(29(39)1725(24)26)3728(1213445)34(40)35182315206721(23)1420h6791116172021232628H810121518H215H3(H3540)(H3638)(H3739)t20?21?23?2628m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(bicyclo(221)hept5en2ylmethyl)Lmethioninamide
ZINC000108448142
ZINC000108448145

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Available files

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