Vitas-M small molecule compound

N-({1-[N-(tert-butoxycarbonyl)-L-leucyl]piperidin-4-yl}carbonyl)-S-methyl-L-cysteine

Catalog ID
STL005415
SMILES CSC[C@@H](C(=O)O)NC(=O)C1CCN(CC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CC(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 C21H37N3O6S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H37N3O6S/c1-13(2)11-15(23-20(29)30-21(3,4)5)18(26)24-9-7-14(8-10-24)17(25)22-16(12-31-6)19(27)28/h13-16H,7-12H2,1-6H3,(H,22,25)(H,23,29)(H,27,28)/t15-,16-/m0/s1
InChIKey
ACGMBAGYLZRDKI-HOTGVXAUSA-N
Synonyms
957000-44-1
(2R)2((1((2S)4methyl2((2methylpropan2yl)oxycarbonylamino)pentanoyl)piperidine4carbonyl)amino)3methylsulfanylpropanoicacid
(R)2(1((S)2((tertbutoxycarbonyl)amino)4methylpentanoyl)piperidine4carboxamido)3(methylthio)propanoicacid
957000441
CC(C)CC(C(=O)N1CCC(CC1)C(=O)NC(CSC)C(=O)O)NC(=O)OC(C)(C)C
CSC(C@@H)(C(=O)O)NC(=O)C1CCN(CC1)C(=O)(C@@H)(NC(=O)OC(C)(C)C)CC(C)C
InChI=1SC21H37N3O6Sc113(2)1115(2320(29)3021(34)5)18(26)249714(81024)17(25)2216(12316)19(27)28h1316H712H216H3(H2225)(H2329)(H2728)t1516m0s1
MFCD05670976
N((1(N(TERTBUTOXYCARBONYL)LLEUCYL)PIPERIDIN4YL)CARBONYL)SMETHYLLCYSTEINE
ZINC000012863626
ZINC12863626

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Available files

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