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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-[2-(1H-indol-1-yl)ethyl]-L-isoleucinamide

Catalog ID
STL541342
SMILES CC[C@H]([C@@H](C(=O)NCCn1ccc2c1cccc2)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 C37H44N4O6 MW 640.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O6/c1-7-22(2)34(37(44)38-17-19-41-18-16-24-10-8-9-11-30(24)41)40-29-15-13-26-27(21-31(29)43)28(39-23(3)42)14-12-25-20-32(45-4)35(46-5)36(47-6)33(25)26/h8-11,13,15-16,18,20-22,28,34H,7,12,14,17,19H2,1-6H3,(H,38,44)(H,39,42)(H,40,43)/t22-,2
InChIKey
JXCKFDPLPOMGLA-PQSJVPODSA-N
Synonyms
1574345-75-7
(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2indol1ylethyl)3methylpentanamide
(2S3R)N(2(1Hindol1yl)ethyl)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamide
1574345757
75491498
CC(C@H)((C@@H)(C(=O)NCCn1ccc2c1cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC37H44N4O6c1722(2)34(37(44)3817194118162410891130(24)41)402915132627(2131(29)43)28(3923(3)42)1412252032(454)35(465)36(476)33(25)26h8111315161820222834H712141719H216H3(H3844)(H3942)(H4043)t2228+34+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(1Hindol1yl)ethyl)Lisoleucinamide
ZINC000108448774
ZINC108448774

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Available files

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