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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-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-L-leucinamide

Catalog ID
STL544441
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)Nc2[nH]nc(n2)C(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC

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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 C32H42N6O6 MW 606.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N6O6/c1-16(2)13-24(31(41)36-32-35-30(17(3)4)37-38-32)34-23-12-10-20-21(15-25(23)40)22(33-18(5)39)11-9-19-14-26(42-6)28(43-7)29(44-8)27(19)20/h10,12,14-17,22,24H,9,11,13H2,1-8H3,(H,33,39)(H,34,40)(H2,35,36,37,38,41)/t22-,24-/m0/s1
InChIKey
POWRHBROCXZBRM-UPVQGACJSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methyl~(N)(5propan2yl1~(H)124triazol3yl)pentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5isopropyl1H124triazol3yl)4methylpentanamide
91637838
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2n(nH)c(n2)C(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H42N6O6c116(2)1324(31(41)36323530(17(3)4)373832)342312102021(1525(23)40)22(3318(5)39)119191426(426)28(437)29(448)27(19)20h101214172224H91113H218H3(H3339)(H3440)(H23536373841)t2224m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(propan2yl)1H124triazol5yl)Lleucinamide
ZINC000217808209
ZINC217808209

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Available files

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