Home Other Building Blocks Boc-s-4-methoxybenzyl-l-penicillamine

Boc-s-4-methoxybenzyl-l-penicillamine

CAS No.:
120944-75-4
Catalog Number:
AG003OI8
Molecular Formula:
C18H27NO5S
Molecular Weight:
369.4757
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$140
- +
5g
≥ 98% (HPLC)
1 week
United States
$462
- +
25g
≥ 98% (HPLC)
1 week
United States
$2092
- +
Product Description
Catalog Number:
AG003OI8
Chemical Name:
Boc-s-4-methoxybenzyl-l-penicillamine
CAS Number:
120944-75-4
Molecular Formula:
C18H27NO5S
Molecular Weight:
369.4757
MDL Number:
MFCD00076975
IUPAC Name:
(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C18H27NO5S/c1-17(2,3)24-16(22)19-14(15(20)21)18(4,5)25-11-12-7-9-13(23-6)10-8-12/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m1/s1
InChI Key:
NEUHEEDQLRFEIM-CQSZACIVSA-N
SMILES:
COc1ccc(cc1)CSC([C@@H](C(=O)O)NC(=O)OC(C)(C)C)(C)C
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
369.161g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
369.476g/mol
Monoisotopic Mass:
369.161g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties