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

Catalog ID
STL545372
SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)OC)[C@@H](CC)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 C33H45N3O8S MW 643.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N3O8S/c1-9-18(2)29(33(40)44-7)36-32(39)25(14-15-45-8)35-24-13-11-21-22(17-26(24)38)23(34-19(3)37)12-10-20-16-27(41-4)30(42-5)31(43-6)28(20)21/h11,13,16-18,23,25,29H,9-10,12,14-15H2,1-8H3,(H,34,37)(H,35,38)(H,36,39)/t18-,23+,25+,29+/m1/s1
InChIKey
VGFRFOOOMMNOBE-AECUCWHWSA-N
Synonyms

(2S3R)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)3methylpentanoate
110207102
CSCC(C@@H)(C(=O)N(C@H)(C(=O)OC)(C@@H)(CC)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H45N3O8Sc1918(2)29(33(40)447)3632(39)25(1415458)352413112122(1726(24)38)23(3419(3)37)1210201627(414)30(425)31(436)28(20)21h11131618232529H910121415H218H3(H3437)(H3538)(H3639)t1823+25+29+m1s1
methyl(2~(S)3~(R))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)3methylpentanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLisoleucinate
ZINC000253413626
ZINC253413626

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Available files

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