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N-[5-(acetylamino)-2-methoxyphenyl]-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methioninamide

Catalog ID
STL546604
SMILES CSCC[C@@H](C(=O)Nc1cc(ccc1OC)NC(=O)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 C35H42N4O8S MW 678.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N4O8S/c1-19(40)36-22-9-13-30(44-3)28(17-22)39-35(43)27(14-15-48-7)38-26-12-10-23-24(18-29(26)42)25(37-20(2)41)11-8-21-16-31(45-4)33(46-5)34(47-6)32(21)23/h9-10,12-13,16-18,25,27H,8,11,14-15H2,1-7H3,(H,36,40)(H,37,41)(H,38,42)(H,39,43)/t25-,
InChIKey
TWHQJBQZDBJRAY-BDYUSTAISA-N
Synonyms

(2~(S))~(N)(5acetamido2methoxyphenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5acetamido2methoxyphenyl)4(methylthio)butanamide
110207786
CSCC(C@@H)(C(=O)Nc1cc(ccc1OC)NC(=O)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H42N4O8Sc119(40)362291330(443)28(1722)3935(43)27(1415487)382612102324(1829(26)42)25(3720(2)41)118211631(454)33(465)34(476)32(21)23h910121316182527H8111415H217H3(H3640)(H3741)(H3842)(H3943)t2527m0s1
N(5(acetylamino)2methoxyphenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethioninamide
ZINC000253413127
ZINC253413127

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Available files

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