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Boc-pen(me)-oh dcha

CAS No.:
112898-23-4
Catalog Number:
AG008SHK
Molecular Formula:
C23H44N2O4S
Molecular Weight:
444.6715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
99%
In Stock USA
United States
$264
- +
1g
99%
In Stock USA
United States
$419
- +
Product Description
Catalog Number:
AG008SHK
Chemical Name:
Boc-pen(me)-oh dcha
CAS Number:
112898-23-4
Molecular Formula:
C23H44N2O4S
Molecular Weight:
444.6715
MDL Number:
MFCD00070261
IUPAC Name:
N-cyclohexylcyclohexanamine;(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid
InChI:
InChI=1S/C12H23N.C11H21NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)16-9(15)12-7(8(13)14)11(4,5)17-6/h11-13H,1-10H2;7H,1-6H3,(H,12,15)(H,13,14)/t;7-/m.1/s1
InChI Key:
FJACYLCGMGYDOE-HMZWWLAASA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CSC([C@@H](C(=O)O)NC(=O)OC(C)(C)C)(C)C
Properties
Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
444.302g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
444.675g/mol
Monoisotopic Mass:
444.302g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties