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tert-butyl {(4R,6R)-6-[2-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]glycyl}amino)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate

Catalog ID
STL546253
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C)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 C37H51N3O10 MW 697.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H51N3O10/c1-21(41)40-27-12-10-22-16-30(45-7)34(46-8)35(47-9)33(22)25-11-13-28(29(42)19-26(25)27)39-20-31(43)38-15-14-23-17-24(49-37(5,6)48-23)18-32(44)50-36(2,3)4/h11,13,16,19,23-24,27H,10,12,14-15,17-18,20H2,1-9H3,(H,38,43)(H,39,42)(H,40,41)/
InChIKey
FEZCJMUVDPKLJH-OASJLCFRSA-N
Synonyms

~(tert)butyl2((4~(R)6~(R))6(2((2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)acetyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
121541790
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)NCC(C@@H)1C(C@H)(CC(=O)OC(C)(C)C)OC(O1)(C)C)NC(=O)C
InChI=1SC37H51N3O10c121(41)40271210221630(457)34(468)35(479)33(22)25111328(29(42)1926(25)27)392031(43)381514231724(4937(56)4823)1832(44)5036(23)4h11131619232427H10121415171820H219H3(H3843)(H3942)(H4041)t232427+m1s1
tertbutyl((4R6R)6(2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)glycyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
tertbutyl2((4R6R)6(2(2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)acetamido)ethyl)22dimethyl13dioxan4yl)acetate
ZINC000263585113
ZINC263585113

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Available files

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