Vitas-M small molecule compound

tert-butyl N-[(benzyloxy)carbonyl]histidylasparaginylleucylglycinate

Catalog ID
STL565349
SMILES CC(CC(C(=O)NCC(=O)OC(C)(C)C)NC(=O)C(NC(=O)C(Cc1nc[nH]c1)NC(=O)OCc1ccccc1)CC(=O)N)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 C30H43N7O8 MW 629.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H43N7O8/c1-18(2)11-21(26(40)33-15-25(39)45-30(3,4)5)35-28(42)23(13-24(31)38)36-27(41)22(12-20-14-32-17-34-20)37-29(43)44-16-19-9-7-6-8-10-19/h6-10,14,17-18,21-23H,11-13,15-16H2,1-5H3,(H2,31,38)(H,32,34)(H,33,40)(H,35,42)(H,36,41)(H,37,43)
InChIKey
RGJSHXRXZBWHJK-UHFFFAOYSA-N
Synonyms

3497903
CC(CC(C(=O)NCC(=O)OC(C)(C)C)NC(=O)C(NC(=O)C(Cc1nc(nH)c1)NC(=O)OCc1ccccc1)CC(=O)N)C
InChI=1SC30H43N7O8c118(2)1121(26(40)331525(39)4530(34)5)3528(42)23(1324(31)38)3627(41)22(12201432173420)3729(43)44161997681019h6101417182123H11131516H215H3(H23138)(H3234)(H3340)(H3542)(H3641)(H3743)
MFCD01084065
tertbutyl2((2((4amino2((3(1Himidazol5yl)2(phenylmethoxycarbonylamino)propanoyl)amino)4oxobutanoyl)amino)4methylpentanoyl)amino)acetate
tertbutyl5((1Himidazol4yl)methyl)8(2amino2oxoethyl)11isobutyl36912tetraoxo1phenyl2oxa471013tetraazapentadecan15oate
tertbutylN((benzyloxy)carbonyl)histidylasparaginylleucylglycinate
ZINC000070665305
ZINC000253387805

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Available files

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