200,000+ products from a single source!
sales@angenechem.com
1017782-65-8 | 3-Piperidinecarboxylic acid, 1-[[[(1,1-dimethylethoxy)carbonyl](phenylmethyl)amino]sulfonyl]-
CAS No: 1017782-65-8 Catalog No: AG0005JK MDL No:MFCD09972238
Product Description
Catalog Number:
AG0005JK
Chemical Name:
3-Piperidinecarboxylic acid, 1-[[[(1,1-dimethylethoxy)carbonyl](phenylmethyl)amino]sulfonyl]-
CAS Number:
1017782-65-8
Molecular Formula:
C18H26N2O6S
Molecular Weight:
398.4738
MDL Number:
MFCD09972238
IUPAC Name:
1-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C18H26N2O6S/c1-18(2,3)26-17(23)20(12-14-8-5-4-6-9-14)27(24,25)19-11-7-10-15(13-19)16(21)22/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,21,22)
InChI Key:
CDHXXUPJFDHWMI-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN(C1)S(=O)(=O)N(C(=O)OC(C)(C)C)Cc1ccccc1
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.474g/mol
Monoisotopic Mass:
398.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.