Home Carbonyls D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-n-[(phenylmethoxy)carbonyl]-, methyl ester

D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-n-[(phenylmethoxy)carbonyl]-, methyl ester

CAS No.:
96136-12-8
Catalog Number:
AG00IJS5
Molecular Formula:
C17H24N2O6
Molecular Weight:
352.3823
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00IJS5
Chemical Name:
D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-n-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Number:
96136-12-8
Molecular Formula:
C17H24N2O6
Molecular Weight:
352.3823
MDL Number:
MFCD22418851
IUPAC Name:
methyl (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C17H24N2O6/c1-17(2,3)25-15(21)18-10-13(14(20)23-4)19-16(22)24-11-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t13-/m1/s1
InChI Key:
MDMZRMHNXPKKND-CYBMUJFWSA-N
SMILES:
COC(=O)[C@H](NC(=O)OCc1ccccc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
352.163g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
352.387g/mol
Monoisotopic Mass:
352.163g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties