Vitas-M small molecule compound
N-{[trans-4-({[N-(tert-butoxycarbonyl)-L-methionyl]amino}methyl)cyclohexyl]carbonyl}-D-valine
Catalog ID
STL529795
SMILES CSCC[C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](C(=O)O)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 C23H41N3O6S MW 487.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H41N3O6S/c1-14(2)18(21(29)30)26-19(27)16-9-7-15(8-10-16)13-24-20(28)17(11-12-33-6)25-22(31)32-23(3,4)5/h14-18H,7-13H2,1-6H3,(H,24,28)(H,25,31)(H,26,27)(H,29,30)/t15-,16-,17-,18+/m0/s1InChIKey
TYRDUZJIWSFRSM-XLAORIBOSA-NSynonyms
(R)2((1S4R)4(((S)2((tertbutoxycarbonyl)amino)4(methylthio)butanamido)methyl)cyclohexanecarboxamido)3methylbutanoicacid
CSCC(C@@H)(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)N(C@@H)(C(=O)O)C(C)C)NC(=O)OC(C)(C)C
InChI=1SC23H41N3O6Sc114(2)18(21(29)30)2619(27)169715(81016)132420(28)17(1112336)2522(31)3223(34)5h1418H713H216H3(H2428)(H2531)(H2627)(H2930)t15161718+m0s1
N((trans4(((N(tertbutoxycarbonyl)Lmethionyl)amino)methyl)cyclohexyl)carbonyl)Dvaline
ZINC000252695031
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