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

Catalog ID
STL548084
SMILES CSCC[C@@H](C(=O)O)NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(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 C32H43N3O8S MW 629.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43N3O8S/c1-17(2)14-25(31(38)35-24(32(39)40)12-13-44-7)34-23-11-9-20-21(16-26(23)37)22(33-18(3)36)10-8-19-15-27(41-4)29(42-5)30(43-6)28(19)20/h9,11,15-17,22,24-25H,8,10,12-14H2,1-7H3,(H,33,36)(H,34,37)(H,35,38)(H,39,40)/t22-,24-,25-/m0/s1
InChIKey
CATZCSAPVKJORE-HVCNVCAESA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylpentanoyl)amino)4methylsulfanylbutanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4methylpentanamido)4(methylthio)butanoicacid
121541033
CSCC(C@@H)(C(=O)O)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
InChI=1SC32H43N3O8Sc117(2)1425(31(38)3524(32(39)40)1213447)34231192021(1626(23)37)22(3318(3)36)108191527(414)29(425)30(436)28(19)20h9111517222425H8101214H217H3(H3336)(H3437)(H3538)(H3940)t222425m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LleucylLmethionine
ZINC000263584912
ZINC263584912

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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