200,000+ products from a single source!
sales@angenechem.com
82835-13-0 | (R)-2-BOC-AMINO-3-(2-CYANO-ETHYLSULFANYL)-PROPANOIC ACID METHYL ESTER
CAS No: 82835-13-0 Catalog No: AG004SMB MDL No:
Product Description
Catalog Number:
AG004SMB
Chemical Name:
(R)-2-BOC-AMINO-3-(2-CYANO-ETHYLSULFANYL)-PROPANOIC ACID METHYL ESTER
CAS Number:
82835-13-0
Molecular Formula:
C12H20N2O4S
Molecular Weight:
288.3632
IUPAC Name:
3-O-tert-butyl 1-O-methyl (2R)-2-amino-2-(2-cyanoethylsulfanylmethyl)propanedioate
InChI:
InChI=1S/C12H20N2O4S/c1-11(2,3)18-10(16)12(14,9(15)17-4)8-19-7-5-6-13/h5,7-8,14H2,1-4H3/t12-/m1/s1
InChI Key:
MBABDZVYEDUGLB-GFCCVEGCSA-N
SMILES:
N#CCCSC[C@](C(=O)OC(C)(C)C)(C(=O)OC)N
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
288.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.362g/mol
Monoisotopic Mass:
288.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.