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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]-L-isoleucyl}amino)ethyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate

Catalog ID
STL545783
SMILES CC[C@H]([C@@H](C(=O)NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C)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 C41H59N3O10 MW 753.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H59N3O10/c1-12-23(2)36(39(48)42-18-17-26-20-27(53-41(7,8)52-26)21-34(47)54-40(4,5)6)44-31-16-14-28-29(22-32(31)46)30(43-24(3)45)15-13-25-19-33(49-9)37(50-10)38(51-11)35(25)28/h14,16,19,22-23,26-27,30,36H,12-13,15,17-18,20-21H2,1-11H3,(H,42,48)
InChIKey
WPCMOHLWUOUXPX-PGTVLEQISA-N
Synonyms

~(tert)butyl2((4~(R)6~(R))6(2(((2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
121541450
CC(C@H)((C@@H)(C(=O)NCC(C@@H)1C(C@H)(CC(=O)OC(C)(C)C)OC(O1)(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC41H59N3O10c11223(2)36(39(48)421817262027(5341(78)5226)2134(47)5440(45)6)443116142829(2232(31)46)30(4324(3)45)1513251933(499)37(5010)38(5111)35(25)28h141619222326273036H12131517182021H2111H3(H4248)(H4345)(H4446)t23262730+36+m1s1
tertbutyl((4R6R)6(2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
tertbutyl2((4R6R)6(2((2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylpentanamido)ethyl)22dimethyl13dioxan4yl)acetate
ZINC000263586656
ZINC263586656

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Available files

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