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{1-[({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-leucyl}amino)methyl]cyclohexyl}acetic acid

Catalog ID
STL547691
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCC2(CCCCC2)CC(=O)O)CC(C)C)NC(=O)C)cc(c1OC)OC

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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 C36H49N3O8 MW 651.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H49N3O8/c1-21(2)16-28(35(44)37-20-36(19-31(42)43)14-8-7-9-15-36)39-27-13-11-24-25(18-29(27)41)26(38-22(3)40)12-10-23-17-30(45-4)33(46-5)34(47-6)32(23)24/h11,13,17-18,21,26,28H,7-10,12,14-16,19-20H2,1-6H3,(H,37,44)(H,38,40)(H,39,41)(H,42,43)/t2
InChIKey
RMJCMOFIMNSNJE-XCZPVHLTSA-N
Synonyms

(1(((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lleucyl)amino)methyl)cyclohexyl)aceticacid
122169613
2(1((((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)methyl)cyclohexyl)aceticacid
2(1(((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)methyl)cyclohexyl)aceticacid
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCC2(CCCCC2)CC(=O)O)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC36H49N3O8c121(2)1628(35(44)372036(1931(42)43)148791536)392713112425(1829(27)41)26(3822(3)40)1210231730(454)33(465)34(476)32(23)24h11131718212628H7101214161920H216H3(H3744)(H3840)(H3941)(H4243)t2628m0s1
ZINC000409415025
ZINC409415025

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Available files

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