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tert-butyl [(2S)-1-[4-({(2S)-3-methyl-1-oxo-1-[(1-phenylethyl)amino]butan-2-yl}carbamoyl)piperidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamate

Catalog ID
STL537621
SMILES CSCC[C@@H](C(=O)N1CCC(CC1)C(=O)N[C@H](C(=O)NC(c1ccccc1)C)C(C)C)NC(=O)OC(C)(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 C29H46N4O5S MW 562.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H46N4O5S/c1-19(2)24(26(35)30-20(3)21-11-9-8-10-12-21)32-25(34)22-13-16-33(17-14-22)27(36)23(15-18-39-7)31-28(37)38-29(4,5)6/h8-12,19-20,22-24H,13-18H2,1-7H3,(H,30,35)(H,31,37)(H,32,34)/t20?,23-,24-/m0/s1
InChIKey
XOMFYQPMWQQPMN-BMTNDILFSA-N
Synonyms
956939-26-7
~(tert)butyl~(N)((2~(S))1(4(((2~(S))3methyl1oxo1(1phenylethylamino)butan2yl)carbamoyl)piperidin1yl)4methylsulfanyl1oxobutan2yl)carbamate
16400605
956939267
CSCC(C@@H)(C(=O)N1CCC(CC1)C(=O)N(C@H)(C(=O)NC(c1ccccc1)C)C(C)C)NC(=O)OC(C)(C)C
InChI=1SC29H46N4O5Sc119(2)24(26(35)3020(3)211198101221)3225(34)22131633(171422)27(36)23(1518397)3128(37)3829(45)6h81219202224H1318H217H3(H3035)(H3137)(H3234)t20?2324m0s1
tertbutyl((2S)1(4(((2S)3methyl1oxo1((1phenylethyl)amino)butan2yl)carbamoyl)piperidin1yl)4(methylsulfanyl)1oxobutan2yl)carbamate
tertbutyl((2S)1(4(((2S)3methyl1oxo1((1phenylethyl)amino)butan2yl)carbamoyl)piperidin1yl)4(methylthio)1oxobutan2yl)carbamate
ZINC000070687601
ZINC000070687604

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Available files

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

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