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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-(4-methoxy-1H-indol-1-yl)propyl]-L-isoleucinamide

Catalog ID
STL547712
SMILES CC[C@H]([C@@H](C(=O)NCCCn1ccc2c1cccc2OC)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 C39H48N4O7 MW 684.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H48N4O7/c1-8-23(2)36(39(46)40-18-10-19-43-20-17-27-31(43)11-9-12-33(27)47-4)42-30-16-14-26-28(22-32(30)45)29(41-24(3)44)15-13-25-21-34(48-5)37(49-6)38(50-7)35(25)26/h9,11-12,14,16-17,20-23,29,36H,8,10,13,15,18-19H2,1-7H3,(H,40,46)(H,41,44)(H,4
InChIKey
KCBUMBALGPVDMO-AAZVVISBSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(4methoxyindol1yl)propyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(4methoxy1Hindol1yl)propyl)3methylpentanamide
121541540
CC(C@H)((C@@H)(C(=O)NCCCn1ccc2c1cccc2OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC39H48N4O7c1823(2)36(39(46)401810194320172731(43)1191233(27)474)423016142628(2232(30)45)29(4124(3)44)1513252134(485)37(496)38(507)35(25)26h9111214161720232936H81013151819H217H3(H4046)(H4144)(H4245)t2329+36+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(4methoxy1Hindol1yl)propyl)Lisoleucinamide
ZINC000263585563
ZINC263585563

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Available files

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