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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-(5-methoxy-1H-indol-3-yl)ethyl]-L-valinamide

Catalog ID
STL542390
SMILES COc1ccc2c(c1)c(CCNC(=O)[C@H](C(C)C)Nc1ccc3c(cc1=O)[C@H](CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)c[nH]2

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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 C37H44N4O7 MW 656.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O7/c1-20(2)34(37(44)38-15-14-23-19-39-28-12-9-24(45-4)17-26(23)28)41-30-13-10-25-27(18-31(30)43)29(40-21(3)42)11-8-22-16-32(46-5)35(47-6)36(48-7)33(22)25/h9-10,12-13,16-20,29,34,39H,8,11,14-15H2,1-7H3,(H,38,44)(H,40,42)(H,41,43)/t29-,34-/
InChIKey
HCXLUYVBKCCBGW-DODOAAEWSA-N
Synonyms
1574398-61-0
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(5methoxy1~(H)indol3yl)ethyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(5methoxy1Hindol3yl)ethyl)3methylbutanamide
1574398610
75492370
COc1ccc2c(c1)c(CCNC(=O)(C@H)(C(C)C)Nc1ccc3c(cc1=O)(C@H)(CCc1c3c(OC)c(c(c1)OC)OC)NC(=O)C)c(nH)2
InChI=1SC37H44N4O7c120(2)34(37(44)3815142319392812924(454)1726(23)28)413013102527(1831(30)43)29(4021(3)42)118221632(465)35(476)36(487)33(22)25h91012131620293439H8111415H217H3(H3844)(H4042)(H4143)t2934m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(5methoxy1Hindol3yl)ethyl)Lvalinamide
ZINC000150653781
ZINC150653781

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Available files

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