Vitas-M small molecule compound

methyl N,O-bis(tert-butoxycarbonyl)tyrosyl-L-alanylglycyl-L-phenylalaninate

Catalog ID
STL525713
SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(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 C34H46N4O10 MW 670.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H46N4O10/c1-21(28(40)35-20-27(39)37-26(30(42)45-8)19-22-12-10-9-11-13-22)36-29(41)25(38-31(43)47-33(2,3)4)18-23-14-16-24(17-15-23)46-32(44)48-34(5,6)7/h9-17,21,25-26H,18-20H2,1-8H3,(H,35,40)(H,36,41)(H,37,39)(H,38,43)/t21-,25?,26-/m0/s1
InChIKey
UPNIGDZLQHZHSN-BYGDIKGKSA-N
Synonyms

(9S15S)methyl15benzyl6(4((tertbutoxycarbonyl)oxy)benzyl)229trimethyl471013tetraoxo3oxa581114tetraazahexadecan16oate
16395569
COC(=O)(C@H)(Cc1ccccc1)NC(=O)CNC(=O)(C@@H)(NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C
InChI=1SC34H46N4O10c121(28(40)352027(39)3726(30(42)458)192212109111322)3629(41)25(3831(43)4733(23)4)1823141624(171523)4632(44)4834(56)7h917212526H1820H218H3(H3540)(H3641)(H3739)(H3843)t2125?26m0s1
methyl(2~(S))2((2(((2~(S))2((2((2methylpropan2yl)oxycarbonylamino)3(4((2methylpropan2yl)oxycarbonyloxy)phenyl)propanoyl)amino)propanoyl)amino)acetyl)amino)3phenylpropanoate
methylNObis(tertbutoxycarbonyl)tyrosylLalanylglycylLphenylalaninate
MFCD01082015
ZINC000079183214
ZINC000079183216

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Available files

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