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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-(4-sulfamoylbenzyl)-L-isoleucinamide

Catalog ID
STL540358
SMILES CC[C@H]([C@@H](C(=O)NCc1ccc(cc1)S(=O)(=O)N)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 C34H42N4O8S MW 666.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N4O8S/c1-7-19(2)31(34(41)36-18-21-8-11-23(12-9-21)47(35,42)43)38-27-15-13-24-25(17-28(27)40)26(37-20(3)39)14-10-22-16-29(44-4)32(45-5)33(46-6)30(22)24/h8-9,11-13,15-17,19,26,31H,7,10,14,18H2,1-6H3,(H,36,41)(H,37,39)(H,38,40)(H2,35,42,43)/t1
InChIKey
RDVLNWVVJVTYLP-JSXXVDJESA-N
Synonyms
1574360-32-9
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((4sulfamoylphenyl)methyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(4sulfamoylbenzyl)pentanamide
1574360329
75492395
CC(C@H)((C@@H)(C(=O)NCc1ccc(cc1)S(=O)(=O)N)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC34H42N4O8Sc1719(2)31(34(41)36182181123(12921)47(3542)43)382715132425(1728(27)40)26(3720(3)39)1410221629(444)32(455)33(466)30(22)24h8911131517192631H7101418H216H3(H3641)(H3739)(H3840)(H2354243)t1926+31+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4sulfamoylbenzyl)Lisoleucinamide
ZINC000150653786
ZINC150653786

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Available files

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