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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-(4-methyl-1,3-thiazol-2-yl)ethyl]-L-isoleucinamide

Catalog ID
STL546331
SMILES CC[C@H]([C@@H](C(=O)NCCc1scc(n1)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 C33H42N4O6S MW 622.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N4O6S/c1-8-18(2)30(33(40)34-14-13-28-35-19(3)17-44-28)37-25-12-10-22-23(16-26(25)39)24(36-20(4)38)11-9-21-15-27(41-5)31(42-6)32(43-7)29(21)22/h10,12,15-18,24,30H,8-9,11,13-14H2,1-7H3,(H,34,40)(H,36,38)(H,37,39)/t18-,24+,30+/m1/s1
InChIKey
XRBIFDKRLAWFSG-RWVMMXNJSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(2(4methyl13thiazol2yl)ethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(2(4methylthiazol2yl)ethyl)pentanamide
121541053
CC(C@H)((C@@H)(C(=O)NCCc1scc(n1)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H42N4O6Sc1818(2)30(33(40)341413283519(3)174428)372512102223(1626(25)39)24(3620(4)38)119211527(415)31(426)32(437)29(21)22h101215182430H89111314H217H3(H3440)(H3638)(H3739)t1824+30+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(4methyl13thiazol2yl)ethyl)Lisoleucinamide
ZINC000263586761
ZINC263586761

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Available files

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