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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-isoleucinamide

Catalog ID
STL547130
SMILES CC[C@H]([C@@H](C(=O)NC(c1ccc(c(c1)OC)OC)C(C)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 C39H51N3O8 MW 689.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H51N3O8/c1-11-22(4)36(39(45)42-35(21(2)3)25-13-17-31(46-6)32(19-25)47-7)41-29-16-14-26-27(20-30(29)44)28(40-23(5)43)15-12-24-18-33(48-8)37(49-9)38(50-10)34(24)26/h13-14,16-22,28,35-36H,11-12,15H2,1-10H3,(H,40,43)(H,41,44)(H,42,45)/t22-,28+,35?
InChIKey
RHXYDHIQLLYQEC-RPJAJAJRSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1(34dimethoxyphenyl)2methylpropyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1(34dimethoxyphenyl)2methylpropyl)3methylpentanamide
121541905
CC(C@H)((C@@H)(C(=O)NC(c1ccc(c(c1)OC)OC)C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC39H51N3O8c11122(4)36(39(45)4235(21(2)3)25131731(466)32(1925)477)412916142627(2030(29)44)28(4023(5)43)1512241833(488)37(499)38(5010)34(24)26h13141622283536H111215H2110H3(H4043)(H4144)(H4245)t2228+35?36+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(1(34dimethoxyphenyl)2methylpropyl)Lisoleucinamide
ZINC000263586213
ZINC000263586214

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Available files

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