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1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-[d11]

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1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-[d11]

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General Information
Catalog: BLP-006336
CAS: 1356352-32-3
Molecular Formula: C25H23D11N4O4
Molecular Weight: 465.63

Chemical Structure

Description	1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-[d11] is the labelled analogue of 1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide, which is an intermediate in the preparation of Ximelagatran.
Synonyms	1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-d11; (2S)-1-((2R)-N-tert-Butyloxycarbonyl-2-amino-2-cyclohexylacetyl)-N-[[4-cyanophenyl]methyl]-2-azetidinecarboxamide-d11
IUPAC Name	tert-butyl N-[(1R)-2-[(2S)-2-[(4-cyanophenyl)methylcarbamoyl]azetidin-1-yl]-2-oxo-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethyl]carbamate
Related CAS	1356848-29-7 (unlabelled)
Canonical SMILES	CC(C)(C)OC(=O)NC(C1CCCCC1)C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C#N
InChI	InChI=1S/C25H34N4O4/c1-25(2,3)33-24(32)28-21(19-7-5-4-6-8-19)23(31)29-14-13-20(29)22(30)27-16-18-11-9-17(15-26)10-12-18/h9-12,19-21H,4-8,13-14,16H2,1-3H3,(H,27,30)(H,28,32)/t20-,21+/m0/s1/i4D2,5D2,6D2,7D2,8D2,19D
InChI Key	HLAZDRUUDUBAQU-QVBFZGLASA-N
Purity	≥98%
Solubility	Soluble in Acetone, Dichloromethane, Ethyl Acetate, Methanol
Appearance	Off-white Foam
Storage	Store at -20°C under inert atmosphere

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