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Vitas-M small molecule compound

dibenzyl N,O-bis(tert-butoxycarbonyl)tyrosyl-L-alanylglycylglutamate

Catalog ID
STL564748
SMILES O=C(NC(C(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1)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 C43H54N4O12 MW 818.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H54N4O12/c1-28(45-38(51)34(47-40(53)58-42(2,3)4)24-29-18-20-32(21-19-29)57-41(54)59-43(5,6)7)37(50)44-25-35(48)46-33(39(52)56-27-31-16-12-9-13-17-31)22-23-36(49)55-26-30-14-10-8-11-15-30/h8-21,28,33-34H,22-27H2,1-7H3,(H,44,50)(H,45,51)(H,46,48
InChIKey
XGCYPRYKAOGFEQ-YVQFMFTPSA-N
Synonyms

16396081
dibenzyl2((2(((2S)2((2((2methylpropan2yl)oxycarbonylamino)3(4((2methylpropan2yl)oxycarbonyloxy)phenyl)propanoyl)amino)propanoyl)amino)acetyl)amino)pentanedioate
dibenzyl2((9S)6(4((tertbutoxycarbonyl)oxy)benzyl)229trimethyl4710trioxo3oxa5811triazatridecanamido)pentanedioate
dibenzylNObis(tertbutoxycarbonyl)tyrosylLalanylglycylglutamate
InChI=1SC43H54N4O12c128(4538(51)34(4740(53)5842(23)4)2429182032(211929)5741(54)5943(56)7)37(50)442535(48)4633(39(52)56273116129131731)222336(49)55263014108111530h821283334H2227H217H3(H4450)(H4551)(H4648)(H4753)t2833?34?m0s1
MFCD32651552
O=C(NC(C(=O)OCc1ccccc1)CCC(=O)OCc1ccccc1)CNC(=O)(C@@H)(NC(=O)C(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C
ZINC000085867965
ZINC000085867983

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Available files

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

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