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N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-3-methyl-1-oxo-1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)pentan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL547417
SMILES CC[C@H]([C@@H](C(=O)N1CCc2c(C1)[nH]c1c2cccc1)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 C38H44N4O6 MW 652.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H44N4O6/c1-7-21(2)35(38(45)42-17-16-25-24-10-8-9-11-28(24)40-31(25)20-42)41-30-15-13-26-27(19-32(30)44)29(39-22(3)43)14-12-23-18-33(46-4)36(47-5)37(48-6)34(23)26/h8-11,13,15,18-19,21,29,35,40H,7,12,14,16-17,20H2,1-6H3,(H,39,43)(H,41,44)/t21-,2
InChIKey
AJYQDBLSBNFJSL-DWZDZWBESA-N
Synonyms

~(N)((7~(S))123trimethoxy10(((2~(S)3~(R))3methyl1oxo1(1349tetrahydropyrido(34b)indol2yl)pentan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121542189
CC(C@H)((C@@H)(C(=O)N1CCc2c(C1)(nH)c1c2cccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H44N4O6c1721(2)35(38(45)421716252410891128(24)4031(25)2042)413015132627(1932(30)44)29(3922(3)43)1412231833(464)36(475)37(486)34(23)26h8111315181921293540H71214161720H216H3(H3943)(H4144)t2129+35+m1s1
N((7S)123trimethoxy10(((2S)3methyl1oxo1(1349tetrahydro2Hbetacarbolin2yl)pentan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((2S3R)1(34dihydro1Hpyrido(34b)indol2(9H)yl)3methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263584768
ZINC263584768

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Available files

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