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Structure

L-Valine,N-[(1,1-dimethylethoxy)carbonyl]-3-[[(4-methoxyphenyl)methyl]thio]-

CAS
120944-75-4
Catalog Number
ACM120944754
Category
Other Products
Molecular Weight
369.48
Molecular Formula
C18H27NO5S

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Specification

Synonyms
Boc-Pen(Mob)-OH, Boc-S-(4-methoxybenzyl)-L-penicillamine, 120944-75-4, Boc-S-4-methoxybenzyl-L-penicillamine, SureCN3151621, 15158_ALDRICH, 15158_FLUKA, CTK8C5715, MolPort-003-926-579, I14-34083, (2R)-2-[(tert-butoxycarbonyl)amino]-3-{[(4-methoxyphenyl)methyl]sulfanyl}-3-methylbutanoic acid
IUPAC Name
(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Canonical SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC=C(C=C1)OC
InChI Key
NEUHEEDQLRFEIM-CQSZACIVSA-N
Boiling Point
523.2ºC at 760 mmHg
Melting Point
108-115ºC
Flash Point
270.2ºC
Density
1.168g/cm³
Exact Mass
369.16100
H-Bond Acceptor
6
H-Bond Donor
2
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