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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-(piperidin-1-yl)phenyl]-L-isoleucinamide

Catalog ID
STL549320
SMILES CC[C@H]([C@@H](C(=O)Nc1cccc(c1)N1CCCCC1)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 C38H48N4O6 MW 656.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O6/c1-7-23(2)35(38(45)40-26-12-11-13-27(21-26)42-18-9-8-10-19-42)41-31-17-15-28-29(22-32(31)44)30(39-24(3)43)16-14-25-20-33(46-4)36(47-5)37(48-6)34(25)28/h11-13,15,17,20-23,30,35H,7-10,14,16,18-19H2,1-6H3,(H,39,43)(H,40,45)(H,41,44)/t23-,
InChIKey
GXJYRHBENAEMLJ-YIXWLNNWSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(3piperidin1ylphenyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(3(piperidin1yl)phenyl)pentanamide
127254047
CC(C@H)((C@@H)(C(=O)Nc1cccc(c1)N1CCCCC1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H48N4O6c1723(2)35(38(45)402612111327(2126)421898101942)413117152829(2232(31)44)30(3924(3)43)1614252033(464)36(475)37(486)34(25)28h1113151720233035H71014161819H216H3(H3943)(H4045)(H4144)t2330+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(piperidin1yl)phenyl)Lisoleucinamide
ZINC000604406312
ZINC604406312

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Available files

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