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

Catalog ID
STL547960
SMILES CSCC[C@@H](C(=O)Nc1cccc(c1)N1CCCCS1(=O)=O)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 C36H44N4O8S2 MW 724.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N4O8S2/c1-22(41)37-28-13-11-23-19-32(46-2)34(47-3)35(48-4)33(23)26-12-14-29(31(42)21-27(26)28)39-30(15-17-49-5)36(43)38-24-9-8-10-25(20-24)40-16-6-7-18-50(40,44)45/h8-10,12,14,19-21,28,30H,6-7,11,13,15-18H2,1-5H3,(H,37,41)(H,38,43)(H,39,42)
InChIKey
ARCDBJQPPUALBZ-JDXGNMNLSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(11dioxothiazinan2yl)phenyl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(11dioxido12thiazinan2yl)phenyl)4(methylthio)butanamide
110207685
CSCC(C@@H)(C(=O)Nc1cccc(c1)N1CCCCS1(=O)=O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC36H44N4O8S2c122(41)37281311231932(462)34(473)35(484)33(23)26121429(31(42)2127(26)28)3930(1517495)36(43)3824981025(2024)4016671850(4044)45h810121419212830H6711131518H215H3(H3741)(H3843)(H3942)t2830m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(11dioxido12thiazinan2yl)phenyl)Lmethioninamide
ZINC000253395932
ZINC253395932

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Available files

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