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

Catalog ID
STL549449
SMILES CSCC[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

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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 C40H57N3O10S MW 771.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H57N3O10S/c1-23(44)42-29-13-11-24-19-33(48-7)36(49-8)37(50-9)35(24)27-12-14-30(32(45)22-28(27)29)43-31(16-18-54-10)38(47)41-17-15-25-20-26(52-40(5,6)51-25)21-34(46)53-39(2,3)4/h12,14,19,22,25-26,29,31H,11,13,15-18,20-21H2,1-10H3,(H,41,47)(H,42
InChIKey
PZVFDMNATAPYLE-JAZPSEKLSA-N
Synonyms

~(tert)butyl2((4~(R)6~(R))6(2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
125430555
CSCC(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
InChI=1SC40H57N3O10Sc123(44)42291311241933(487)36(498)37(509)35(24)27121430(32(45)2228(27)29)4331(16185410)38(47)411715252026(5240(56)5125)2134(46)5339(23)4h1214192225262931H111315182021H2110H3(H4147)(H4244)(H4345)t252629+31+m1s1
tertbutyl((4R6R)6(2((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)amino)ethyl)22dimethyl13dioxan4yl)acetate
tertbutyl2((4R6R)6(2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)ethyl)22dimethyl13dioxan4yl)acetate
ZINC000524731942
ZINC524731942

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Available files

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