Vitas-M small molecule compound

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

Catalog ID
STL525759
SMILES 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)CC(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 C31H48N4O10 MW 636.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H48N4O10/c1-18(2)15-23(27(39)42-10)34-24(36)17-32-25(37)19(3)33-26(38)22(35-28(40)44-30(4,5)6)16-20-11-13-21(14-12-20)43-29(41)45-31(7,8)9/h11-14,18-19,22-23H,15-17H2,1-10H3,(H,32,37)(H,33,38)(H,34,36)(H,35,40)/t19-,22?,23-/m0/s1
InChIKey
XPIKJJTYHJXRKY-LRSMGMEUSA-N
Synonyms

(9S15S)methyl6(4((tertbutoxycarbonyl)oxy)benzyl)15isobutyl229trimethyl471013tetraoxo3oxa581114tetraazahexadecan16oate
16396189
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)CC(C)C
InChI=1SC31H48N4O10c118(2)1523(27(39)4210)3424(36)173225(37)19(3)3326(38)22(3528(40)4430(45)6)1620111321(141220)4329(41)4531(78)9h111418192223H1517H2110H3(H3237)(H3338)(H3436)(H3540)t1922?23m0s1
methyl(2~(S))4methyl2((2(((2~(S))2((2((2methylpropan2yl)oxycarbonylamino)3(4((2methylpropan2yl)oxycarbonyloxy)phenyl)propanoyl)amino)propanoyl)amino)acetyl)amino)pentanoate
methylNObis(tertbutoxycarbonyl)tyrosylLalanylglycylLleucinate
MFCD01082370
ZINC000070665999
ZINC000070666000

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Available files

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