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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-(1,3-thiazol-2-yl)benzyl]-L-isoleucinamide

Catalog ID
STL550794
SMILES CC[C@H]([C@@H](C(=O)NCc1cccc(c1)c1nccs1)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 C37H42N4O6S MW 670.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O6S/c1-7-21(2)33(36(44)39-20-23-9-8-10-25(17-23)37-38-15-16-48-37)41-29-14-12-26-27(19-30(29)43)28(40-22(3)42)13-11-24-18-31(45-4)34(46-5)35(47-6)32(24)26/h8-10,12,14-19,21,28,33H,7,11,13,20H2,1-6H3,(H,39,44)(H,40,42)(H,41,43)/t21-,28+,33
InChIKey
IQWWKSBKWNONED-VGASRGCDSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((3(13thiazol2yl)phenyl)methyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(3(thiazol2yl)benzyl)pentanamide
127254037
CC(C@H)((C@@H)(C(=O)NCc1cccc(c1)c1nccs1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H42N4O6Sc1721(2)33(36(44)392023981025(1723)373815164837)412914122627(1930(29)43)28(4022(3)42)1311241831(454)34(465)35(476)32(24)26h810121419212833H7111320H216H3(H3944)(H4042)(H4143)t2128+33+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(13thiazol2yl)benzyl)Lisoleucinamide
ZINC000604406324
ZINC604406324

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Available files

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