Home Carbonyls 2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid

2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid

CAS No.:
20898-44-6
Catalog Number:
AG002JZC
Molecular Formula:
C18H23N3O4
Molecular Weight:
345.3929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$113
- +
25g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG002JZC
Chemical Name:
2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid
CAS Number:
20898-44-6
Molecular Formula:
C18H23N3O4
Molecular Weight:
345.3929
MDL Number:
MFCD00066093
IUPAC Name:
(2S)-3-(1-benzylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)/t15-/m0/s1
InChI Key:
OUHPNBGKEMHUCQ-HNNXBMFYSA-N
SMILES:
OC(=O)[C@H](Cc1ncn(c1)Cc1ccccc1)NC(=O)OC(C)(C)C
EC Number:
244-105-1
UNII:
9F4A95WI5Z
Properties
Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
345.169g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
345.399g/mol
Monoisotopic Mass:
345.169g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties