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methyl N-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)-L-tryptophanate

Catalog ID
STL544115
SMILES COC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C39H46N4O8 MW 698.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H46N4O8/c1-23(44)42-30-16-14-24-20-34(48-2)37(49-3)38(50-4)36(24)27-15-17-31(33(45)21-28(27)30)40-18-10-6-7-13-35(46)43-32(39(47)51-5)19-25-22-41-29-12-9-8-11-26(25)29/h8-9,11-12,15,17,20-22,30,32,41H,6-7,10,13-14,16,18-19H2,1-5H3,(H,40,45)(H,
InChIKey
LKJQEQKFWSHDOB-CDZUIXILSA-N
Synonyms

(S)methyl2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)3(1Hindol3yl)propanoate
110206011
COC(=O)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC39H46N4O8c123(44)42301614242034(482)37(493)38(504)36(24)27151731(33(45)2128(27)30)401810671335(46)4332(39(47)515)192522412912981126(25)29h89111215172022303241H67101314161819H215H3(H4045)(H4244)(H4346)t3032m0s1
methyl(2~(S))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)3(1~(H)indol3yl)propanoate
methylN(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)Ltryptophanate
ZINC000253409101
ZINC253409101

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Available files

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