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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-(5-methyl-1,3-thiazol-2-yl)-L-isoleucinamide

Catalog ID
STL543009
SMILES CC[C@H]([C@@H](C(=O)Nc1ncc(s1)C)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 C31H38N4O6S MW 594.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H38N4O6S/c1-8-16(2)27(30(38)35-31-32-15-17(3)42-31)34-23-12-10-20-21(14-24(23)37)22(33-18(4)36)11-9-19-13-25(39-5)28(40-6)29(41-7)26(19)20/h10,12-16,22,27H,8-9,11H2,1-7H3,(H,33,36)(H,34,37)(H,32,35,38)/t16-,22+,27+/m1/s1
InChIKey
AQZBKHOAAROLEG-AIPAAETGSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(5methyl13thiazol2yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(5methylthiazol2yl)pentanamide
110208154
CC(C@H)((C@@H)(C(=O)Nc1ncc(s1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC31H38N4O6Sc1816(2)27(30(38)3531321517(3)4231)342312102021(1424(23)37)22(3318(4)36)119191325(395)28(406)29(417)26(19)20h1012162227H8911H217H3(H3336)(H3437)(H323538)t1622+27+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(5methyl13thiazol2yl)Lisoleucinamide
ZINC000253395925
ZINC253395925

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Available files

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