N-tert-Butyloxycarbonyl-S-(4-methylbenzyl)-D-penicillamine dicyclohexylamine
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N-tert-Butyloxycarbonyl-S-(4-methylbenzyl)-D-penicillamine dicyclohexylamine

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N-tert-Butyloxycarbonyl-S-(4-methylbenzyl)-D-penicillamine dicyclohexylamine is a derivative of D-Penicillamine, which is a penicillin metabolite used in the treatment of Wilson's disease, Cystinuria, Scleroderma and arsenic poisoning.

Category
BOC-Amino Acids
Catalog number
BAT-015032
CAS number
198474-61-2
Molecular Formula
C18H27NO4S.C12H23N
Molecular Weight
534.80
N-tert-Butyloxycarbonyl-S-(4-methylbenzyl)-D-penicillamine dicyclohexylamine
IUPAC Name
N-cyclohexylcyclohexanamine;(2R)-3-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Synonyms
Boc-S-4-Methylbenzyl-L-penicillamine dicyclohexylammonium salt; L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-[[(4-methylphenyl)methyl]thio]-, compd. with N-cyclohexylcyclohexanamine (1:1); N-Cyclohexylcyclohexanaminium (2R)-3-methyl-3-[(4-methylbenzyl)sulfanyl]-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate; N-α-(t-Butoxycarbonyl)-S-(4-methylbenzyl)-L-penicillamine dicyclohexylammonium salt; Boc-L-Pen(pMeBzl)-OH.DCHA; Boc-β,β-dimethyl-L-Cys(pMeBzl)-OH.DCHA
Related CAS
198470-36-9 (D-isomer) 104323-41-3 (free base)
Appearance
White to Off-white Solid
Purity
≥98% by HPLC
Storage
Store at 2-8°C
InChI
InChI=1S/C18H27NO4S.C12H23N/c1-12-7-9-13(10-8-12)11-24-18(5,6)14(15(20)21)19-16(22)23-17(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21);11-13H,1-10H2/t14-;/m1./s1
InChI Key
XIWRVVSYJKYAIZ-PFEQFJNWSA-N
Canonical SMILES
CC1=CC=C(C=C1)CSC(C)(C)C(C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
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