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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-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-L-isoleucinamide

Catalog ID
STL550660
SMILES CC[C@H]([C@@H](C(=O)NCCc1onc(n1)c1ccc(c(c1)OC)OC)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 C39H47N5O9 MW 729.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H47N5O9/c1-9-21(2)35(39(47)40-17-16-33-43-38(44-53-33)24-11-15-30(48-4)31(19-24)49-5)42-28-14-12-25-26(20-29(28)46)27(41-22(3)45)13-10-23-18-32(50-6)36(51-7)37(52-8)34(23)25/h11-12,14-15,18-21,27,35H,9-10,13,16-17H2,1-8H3,(H,40,47)(H,41,45)(H,
InChIKey
GDFSDOHKQBNBPO-CGKUCKGESA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(3(34dimethoxyphenyl)124oxadiazol5yl)ethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(3(34dimethoxyphenyl)124oxadiazol5yl)ethyl)3methylpentanamide
127253579
CC(C@H)((C@@H)(C(=O)NCCc1onc(n1)c1ccc(c(c1)OC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC39H47N5O9c1921(2)35(39(47)401716334338(445333)24111530(484)31(1924)495)422814122526(2029(28)46)27(4122(3)45)1310231832(506)36(517)37(528)34(23)25h1112141518212735H910131617H218H3(H4047)(H4145)(H4246)t2127+35+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(3(34dimethoxyphenyl)124oxadiazol5yl)ethyl)Lisoleucinamide
ZINC000604403962
ZINC604403962

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Available files

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