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

Catalog ID
STL545428
SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)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 C35H41N3O8S MW 663.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O8S/c1-20(39)36-25-13-11-22-18-30(44-2)32(45-3)33(46-4)31(22)23-12-14-26(29(40)19-24(23)25)37-27(15-16-47-5)34(41)38-28(35(42)43)17-21-9-7-6-8-10-21/h6-10,12,14,18-19,25,27-28H,11,13,15-17H2,1-5H3,(H,36,39)(H,37,40)(H,38,41)(H,42,43)/t25-
InChIKey
NOKQETYTLRIFBI-MYKRZTLLSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)3phenylpropanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)3phenylpropanoicacid
110207824
CSCC(C@@H)(C(=O)N(C@H)(C(=O)O)Cc1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H41N3O8Sc120(39)36251311221830(442)32(453)33(464)31(22)23121426(29(40)1924(23)25)3727(1516475)34(41)3828(35(42)43)172197681021h61012141819252728H11131517H215H3(H3639)(H3740)(H3841)(H4243)t252728m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLphenylalanine
ZINC000253410661
ZINC253410661

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Available files

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