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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-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-L-isoleucinamide

Catalog ID
STL551210
SMILES CC[C@H]([C@@H](C(=O)NCCc1onc(n1)c1cccs1)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 C35H41N5O7S MW 675.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O7S/c1-7-19(2)31(35(43)36-15-14-29-39-34(40-47-29)28-9-8-16-48-28)38-25-13-11-22-23(18-26(25)42)24(37-20(3)41)12-10-21-17-27(44-4)32(45-5)33(46-6)30(21)22/h8-9,11,13,16-19,24,31H,7,10,12,14-15H2,1-6H3,(H,36,43)(H,37,41)(H,38,42)/t19-,24+,
InChIKey
ISYPFKKOFGQMIK-KXZFAFFUSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(3thiophen2yl124oxadiazol5yl)ethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(3(thiophen2yl)124oxadiazol5yl)ethyl)pentanamide
127253020
CC(C@H)((C@@H)(C(=O)NCCc1onc(n1)c1cccs1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H41N5O7Sc1719(2)31(35(43)361514293934(404729)2898164828)382513112223(1826(25)42)24(3720(3)41)1210211727(444)32(455)33(466)30(21)22h89111316192431H710121415H216H3(H3643)(H3741)(H3842)t1924+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(3(thiophen2yl)124oxadiazol5yl)ethyl)Lisoleucinamide
ZINC000604404898
ZINC604404898

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Available files

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