Vitas-M small molecule compound

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

Catalog ID
STL525675
SMILES COC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(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 C28H42N4O10 MW 594.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N4O10/c1-16(22(34)29-15-21(33)30-17(2)24(36)39-9)31-23(35)20(32-25(37)41-27(3,4)5)14-18-10-12-19(13-11-18)40-26(38)42-28(6,7)8/h10-13,16-17,20H,14-15H2,1-9H3,(H,29,34)(H,30,33)(H,31,35)(H,32,37)/t16-,17?,20?/m0/s1
InChIKey
PVXVBVRGZUTEDV-VXESANQCSA-N
Synonyms

(9S15S)methyl6(4((tertbutoxycarbonyl)oxy)benzyl)22915tetramethyl471013tetraoxo3oxa581114tetraazahexadecan16oate
44661016
COC(=O)(C@@H)(NC(=O)CNC(=O)(C@@H)(NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C
InChI=1SC28H42N4O10c116(22(34)291521(33)3017(2)24(36)399)3123(35)20(3225(37)4127(34)5)1418101219(131118)4026(38)4228(67)8h1013161720H1415H219H3(H2934)(H3033)(H3135)(H3237)t1617?20?m0s1
methyl2((2(((2~(S))2((2((2methylpropan2yl)oxycarbonylamino)3(4((2methylpropan2yl)oxycarbonyloxy)phenyl)propanoyl)amino)propanoyl)amino)acetyl)amino)propanoate
methylNObis(tertbutoxycarbonyl)tyrosylLalanylglycylalaninate
MFCD01082016
ZINC000070669923
ZINC000103556762

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Available files

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