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

Catalog ID
STL548395
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=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 C39H55N3O10 MW 725.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H55N3O10/c1-23(43)42-29-14-12-24-19-32(47-7)36(48-8)37(49-9)35(24)27-13-15-30(31(44)22-28(27)29)40-17-10-11-33(45)41-18-16-25-20-26(51-39(5,6)50-25)21-34(46)52-38(2,3)4/h13,15,19,22,25-26,29H,10-12,14,16-18,20-21H2,1-9H3,(H,40,44)(H,41,45)(H,4
InChIKey
HHHFDYLVWVRPQI-GEBXHLAXSA-N
Synonyms

~(tert)butyl2((4~(R)6~(R))6(2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)ethyl)22dimethyl13dioxan4yl)acetate
121542058
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)NCC(C@@H)1C(C@H)(CC(=O)OC(C)(C)C)OC(O1)(C)C)NC(=O)C
InChI=1SC39H55N3O10c123(43)42291412241932(477)36(488)37(499)35(24)27131530(31(44)2228(27)29)4017101133(45)411816252026(5139(56)5025)2134(46)5238(23)4h13151922252629H10121416182021H219H3(H4044)(H4145)(H4243)t252629+m1s1
tertbutyl((4R6R)6(2((4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
tertbutyl2((4R6R)6(2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)ethyl)22dimethyl13dioxan4yl)acetate
ZINC000263585319
ZINC263585319

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Available files

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