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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-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-L-isoleucinamide

Catalog ID
STL550180
SMILES CC[C@H]([C@@H](C(=O)NCc1onc(n1)c1cccnc1)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 C35H40N6O7 MW 656.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O7/c1-7-19(2)31(35(44)37-18-29-40-34(41-48-29)22-9-8-14-36-17-22)39-26-13-11-23-24(16-27(26)43)25(38-20(3)42)12-10-21-15-28(45-4)32(46-5)33(47-6)30(21)23/h8-9,11,13-17,19,25,31H,7,10,12,18H2,1-6H3,(H,37,44)(H,38,42)(H,39,43)/t19-,25+,31+/
InChIKey
ACOMDIHVLMNDBH-PVUVCFRKSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((3pyridin3yl124oxadiazol5yl)methyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN((3(pyridin3yl)124oxadiazol5yl)methyl)pentanamide
127253397
CC(C@H)((C@@H)(C(=O)NCc1onc(n1)c1cccnc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H40N6O7c1719(2)31(35(44)3718294034(414829)229814361722)392613112324(1627(26)43)25(3820(3)42)1210211528(454)32(465)33(476)30(21)23h89111317192531H7101218H216H3(H3744)(H3842)(H3943)t1925+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((3(pyridin3yl)124oxadiazol5yl)methyl)Lisoleucinamide
ZINC000604404231
ZINC604404231

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Available files

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