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

Catalog ID
STL548771
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)N[C@H](C(=O)NCCn1ccc2c1cccc2OC)C(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 C37H44N4O7 MW 656.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H44N4O7/c1-21(2)34(37(44)38-16-18-41-17-15-25-29(41)9-8-10-31(25)45-4)40-28-14-12-24-26(20-30(28)43)27(39-22(3)42)13-11-23-19-32(46-5)35(47-6)36(48-7)33(23)24/h8-10,12,14-15,17,19-21,27,34H,11,13,16,18H2,1-7H3,(H,38,44)(H,39,42)(H,40,43)/t27-,
InChIKey
BOXHJYPPPFOOMH-FOPBOCKXSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(4methoxyindol1yl)ethyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(4methoxy1Hindol1yl)ethyl)3methylbutanamide
110207189
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)N(C@H)(C(=O)NCCn1ccc2c1cccc2OC)C(C)C
InChI=1SC37H44N4O7c121(2)34(37(44)3816184117152529(41)981031(25)454)402814122426(2030(28)43)27(3922(3)42)1311231932(465)35(476)36(487)33(23)24h8101214151719212734H11131618H217H3(H3844)(H3942)(H4043)t2734m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(4methoxy1Hindol1yl)ethyl)Lvalinamide
ZINC000253397699
ZINC253397699

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Available files

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