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Vitas-M small molecule compound

methyl N~2~-(tert-butoxycarbonyl)-N-(3-hydroxy-1-methoxy-1-oxobutan-2-yl)asparaginylphenylalanylphenylalaninate

Catalog ID
STK368825
SMILES COC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)CC(=O)NC(C(=O)OC)C(O)C)Cc1ccccc1)Cc1ccccc1

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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 C33H44N4O10 MW 656.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O10/c1-20(38)27(31(43)46-6)37-26(39)19-24(36-32(44)47-33(2,3)4)29(41)34-23(17-21-13-9-7-10-14-21)28(40)35-25(30(42)45-5)18-22-15-11-8-12-16-22/h7-16,20,23-25,27,38H,17-19H2,1-6H3,(H,34,41)(H,35,40)(H,36,44)(H,37,39)
InChIKey
NVSRYELTLXGMLZ-UHFFFAOYSA-N
Synonyms

CC(C(C(=O)OC)NC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)NC(=O)OC(C)(C)C)O
InChI=1SC33H44N4O10c120(38)27(31(43)466)3726(39)1924(3632(44)4733(23)4)29(41)3423(17211397101421)28(40)3525(30(42)455)182215118121622h7162023252738H1719H216H3(H3441)(H3540)(H3644)(H3739)
METHYL3HYDROXY2((4((1((1METHOXY1OXO3PHENYLPROPAN2YL)AMINO)1OXO3PHENYLPROPAN2YL)AMINO)3((2METHYLPROPAN2YL)OXYCARBONYLAMINO)4OXOBUTANOYL)AMINO)BUTANOATE
methylN~2~(tertbutoxycarbonyl)N(3hydroxy1methoxy1oxobutan2yl)asparaginylphenylalanylphenylalaninate
METHYLN2(TERTBUTOXYCARBONYL)N(2HYDROXY1(METHOXYCARBONYL)PROPYL)ASPARAGINYLPHENYLALANYLPHENYLALANINATE
METHYLN2(TERTBUTOXYCARBONYL)N(3HYDROXY1METHOXY1OXOBUTAN2YL)ASPARAGINYLPHENYLALANYLPHENYLALANINATE
MFCD00301729
ZINC000004017044
ZINC000004017047

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Available files

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

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