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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-(1H-benzimidazol-2-yl)propyl]-L-valinamide

Catalog ID
STL545199
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCCCc1nc2c([nH]1)cccc2)C(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 C36H43N5O6 MW 641.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H43N5O6/c1-20(2)33(36(44)37-17-9-12-31-39-26-10-7-8-11-27(26)40-31)41-28-16-14-23-24(19-29(28)43)25(38-21(3)42)15-13-22-18-30(45-4)34(46-5)35(47-6)32(22)23/h7-8,10-11,14,16,18-20,25,33H,9,12-13,15,17H2,1-6H3,(H,37,44)(H,38,42)(H,39,40)(H,41,43
InChIKey
UPEDGKCOJMZWEW-JQJBXXCASA-N
Synonyms
1574292-10-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(1~(H)benzimidazol2yl)propyl)3methylbutanamide
(S)N(3(1Hbenzo(d)imidazol2yl)propyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamide
1574292106
75492210
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCCCc1nc2c((nH)1)cccc2)C(C)C
InChI=1SC36H43N5O6c120(2)33(36(44)371791231392610781127(26)4031)412816142324(1929(28)43)25(3821(3)42)1513221830(454)34(465)35(476)32(22)23h781011141618202533H912131517H216H3(H3744)(H3842)(H3940)(H4143)t2533m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(1Hbenzimidazol2yl)propyl)Lvalinamide
ZINC000150653684
ZINC150653684

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Available files

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