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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-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-L-leucinamide

Catalog ID
STL548604
SMILES COc1ccc(cc1OC)C(C(C)C)NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C39H51N3O8 MW 689.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H51N3O8/c1-21(2)17-30(39(45)42-36(22(3)4)25-12-16-32(46-6)33(19-25)47-7)41-29-15-13-26-27(20-31(29)44)28(40-23(5)43)14-11-24-18-34(48-8)37(49-9)38(50-10)35(24)26/h12-13,15-16,18-22,28,30,36H,11,14,17H2,1-10H3,(H,40,43)(H,41,44)(H,42,45)/t28-,3
InChIKey
MCNGFQHHLVSDAH-LAUBNZORSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(34dimethoxyphenyl)2methylpropyl)4methylpentanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(34dimethoxyphenyl)2methylpropyl)4methylpentanamide
121541763
COc1ccc(cc1OC)C(C(C)C)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC39H51N3O8c121(2)1730(39(45)4236(22(3)4)25121632(466)33(1925)477)412915132627(2031(29)44)28(4023(5)43)1411241834(488)37(499)38(5010)35(24)26h121315161822283036H111417H2110H3(H4043)(H4144)(H4245)t283036?m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(34dimethoxyphenyl)2methylpropyl)Lleucinamide
ZINC000263585757
ZINC000263585758

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Available files

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