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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-leucinate

Catalog ID
STL545676
SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)OC)CC(C)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/c1-18(2)15-26(33(40)44-7)36-32(39)25(13-14-45-8)35-24-12-10-21-22(17-27(24)38)23(34-19(3)37)11-9-20-16-28(41-4)30(42-5)31(43-6)29(20)21/h10,12,16-18,23,25-26H,9,11,13-15H2,1-8H3,(H,34,37)(H,35,38)(H,36,39)/t23-,25-,26-/m0/s1
InChIKey
UIUGDVJDJIWNPF-RNXOBYDBSA-N
Synonyms

(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)butanamido)4methylpentanoate
110206702
CSCC(C@@H)(C(=O)N(C@H)(C(=O)OC)CC(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC33H45N3O8Sc118(2)1526(33(40)447)3632(39)25(1314458)352412102122(1727(24)38)23(3419(3)37)119201628(414)30(425)31(436)29(20)21h10121618232526H9111315H218H3(H3437)(H3538)(H3639)t232526m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)4methylpentanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LmethionylLleucinate
ZINC000253413282
ZINC253413282

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Available files

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

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