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N-[(7S)-10-({(2S)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-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
STL548377
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N2CC[C@@]3([C@H](C2)CCCC3)O)CC(C)C)NC(=O)C)cc(c1OC)OC

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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 C36H49N3O7 MW 635.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H49N3O7/c1-21(2)17-29(35(42)39-16-15-36(43)14-8-7-9-24(36)20-39)38-28-13-11-25-26(19-30(28)41)27(37-22(3)40)12-10-23-18-31(44-4)33(45-5)34(46-6)32(23)25/h11,13,18-19,21,24,27,29,43H,7-10,12,14-17,20H2,1-6H3,(H,37,40)(H,38,41)/t24-,27-,29-,36-/
InChIKey
YTDDVWXBEALMNF-BPMHSOHYSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541113
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N2CCC3(C(C2)CCCC3)O)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC36H49N3O7c121(2)1729(35(42)39161536(43)1487924(36)2039)382813112526(1930(28)41)27(3722(3)40)1210231831(444)33(455)34(466)32(23)25h111318192124272943H71012141720H216H3(H3740)(H3841)t24272936m0s1
N((7S)10(((2S)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(((2S)1(4ahydroxyoctahydroisoquinolin2(1H)yl)4methyl1oxopentan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263586854
ZINC263586854

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Available files

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