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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-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-L-valinamide

Catalog ID
STL548023
SMILES COc1ccc2c(c1)c1CCCC(c1[nH]2)NC(=O)[C@H](C(C)C)Nc1ccc2c(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 C39H46N4O7 MW 682.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H46N4O7/c1-20(2)35(39(46)43-31-10-8-9-25-26-18-23(47-4)12-15-29(26)41-36(25)31)42-30-16-13-24-27(19-32(30)45)28(40-21(3)44)14-11-22-17-33(48-5)37(49-6)38(50-7)34(22)24/h12-13,15-20,28,31,35,41H,8-11,14H2,1-7H3,(H,40,44)(H,42,45)(H,43,46)/t28-,
InChIKey
SRHORPLVRXJRLM-AURWODOXSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(6methoxy2349tetrahydro1~(H)carbazol1yl)3methylbutanamide
(2S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(6methoxy2349tetrahydro1Hcarbazol1yl)3methylbutanamide
110206554
COc1ccc2c(c1)c1CCCC(c1(nH)2)NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC39H46N4O7c120(2)35(39(46)4331108925261823(474)121529(26)4136(25)31)423016132427(1932(30)45)28(4021(3)44)1411221733(485)37(496)38(507)34(22)24h1213152028313541H81114H217H3(H4044)(H4245)(H4346)t2831?35m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(6methoxy2349tetrahydro1Hcarbazol1yl)Lvalinamide
ZINC000253412989
ZINC000253412990

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Available files

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