Home Carboxys 1H-Indole-1-carboxylic acid, 2-borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester

1H-Indole-1-carboxylic acid, 2-borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester

CAS No.:
913388-66-6
Catalog Number:
AG006NRZ
Molecular Formula:
C18H25BN2O6
Molecular Weight:
376.2119
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95+%
1 week
United States
$78
- +
250mg
95+%
1 week
United States
$117
- +
1g
95+%
1 week
United States
$292
- +
Product Description
Catalog Number:
AG006NRZ
Chemical Name:
1H-Indole-1-carboxylic acid, 2-borono-5-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(1,1-dimethylethyl) ester
CAS Number:
913388-66-6
Molecular Formula:
C18H25BN2O6
Molecular Weight:
376.2119
MDL Number:
MFCD11616305
IUPAC Name:
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]indol-2-yl]boronic acid
InChI:
InChI=1S/C18H25BN2O6/c1-17(2,3)26-15(22)20-12-7-8-13-11(9-12)10-14(19(24)25)21(13)16(23)27-18(4,5)6/h7-10,24-25H,1-6H3,(H,20,22)
InChI Key:
SCZOPXMWIHYWGN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)cc(n2C(=O)OC(C)(C)C)B(O)O
Properties
Complexity:
557  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.181g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
376.216g/mol
Monoisotopic Mass:
376.181g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties