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

Catalog ID
STL540462
SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C38H47N3O8 MW 673.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N3O8/c1-21(2)15-30(38(44)41-14-13-23-16-32(45-4)33(46-5)18-25(23)20-41)40-29-12-10-26-27(19-31(29)43)28(39-22(3)42)11-9-24-17-34(47-6)36(48-7)37(49-8)35(24)26/h10,12,16-19,21,28,30H,9,11,13-15,20H2,1-8H3,(H,39,42)(H,40,43)/t28-,30-/m0/s1
InChIKey
MHRFLNULAFECNK-JDXGNMNLSA-N
Synonyms
1574390-32-1
~(N)((7~(S))10(((2~(S))1(67dimethoxy34dihydro1~(H)isoquinolin2yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574390321
75491002
COc1cc2CCN(Cc2cc1OC)C(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC38H47N3O8c121(2)1530(38(44)411413231632(454)33(465)1825(23)2041)402912102627(1931(29)43)28(3922(3)42)119241734(476)36(487)37(498)35(24)26h10121619212830H911131520H218H3(H3942)(H4043)t2830m0s1
N((7S)10(((2S)1(67dimethoxy34dihydroisoquinolin2(1H)yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)10(((S)1(67dimethoxy34dihydroisoquinolin2(1H)yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150652950
ZINC150652950

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Available files

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