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

Catalog ID
STL551110
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)NCC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C)C(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 C40H57N3O10 MW 739.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H57N3O10/c1-22(2)35(38(47)41-17-16-25-19-26(52-40(7,8)51-25)20-33(46)53-39(4,5)6)43-30-15-13-27-28(21-31(30)45)29(42-23(3)44)14-12-24-18-32(48-9)36(49-10)37(50-11)34(24)27/h13,15,18,21-22,25-26,29,35H,12,14,16-17,19-20H2,1-11H3,(H,41,47)(H,42,
InChIKey
YVGCTVMZVAUTJH-KAJSHKJISA-N
Synonyms

~(tert)butyl2((4~(R)6~(R))6(2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
125429446
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)NCC(C@@H)1C(C@H)(CC(=O)OC(C)(C)C)OC(O1)(C)C)C(C)C)NC(=O)C
InChI=1SC40H57N3O10c122(2)35(38(47)411716251926(5240(78)5125)2033(46)5339(45)6)433015132728(2131(30)45)29(4223(3)44)1412241832(489)36(4910)37(5011)34(24)27h131518212225262935H121416171920H2111H3(H4147)(H4244)(H4345)t252629+35+m1s1
tertbutyl((4R6R)6(2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
tertbutyl2((4R6R)6(2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)ethyl)22dimethyl13dioxan4yl)acetate
ZINC000524730833
ZINC524730833

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Available files

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