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(2S)-({N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-methionyl}amino)(phenyl)ethanoic acid

Catalog ID
STL544378
SMILES CSCC[C@@H](C(=O)N[C@@H](c1ccccc1)C(=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 C34H39N3O8S MW 649.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O8S/c1-19(38)35-24-13-11-21-17-28(43-2)31(44-3)32(45-4)29(21)22-12-14-25(27(39)18-23(22)24)36-26(15-16-46-5)33(40)37-30(34(41)42)20-9-7-6-8-10-20/h6-10,12,14,17-18,24,26,30H,11,13,15-16H2,1-5H3,(H,35,38)(H,36,39)(H,37,40)(H,41,42)/t24-,26
InChIKey
MNRMQGQQLJBPPV-QECWJDIYSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)2phenylaceticacid
(2S)((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lmethionyl)amino)(phenyl)ethanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)2phenylaceticacid
110207597
CSCC(C@@H)(C(=O)N(C@@H)(c1ccccc1)C(=O)O)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H39N3O8Sc119(38)35241311211728(432)31(443)32(454)29(21)22121425(27(39)1823(22)24)3626(1516465)33(40)3730(34(41)42)2097681020h61012141718242630H11131516H215H3(H3538)(H3639)(H3740)(H4142)t242630m0s1
ZINC000253409849
ZINC253409849

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Available files

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