200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 124815-66-3
124815-66-3 | Glycine, N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, methyl ester, (S)- (9CI)
CAS No: 124815-66-3 Catalog No: AG000MRI MDL No:
Product Description
Catalog Number:
AG000MRI
Chemical Name:
Glycine, N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, methyl ester, (S)- (9CI)
CAS Number:
124815-66-3
Molecular Formula:
C15H19NO4S
Molecular Weight:
309.3807
IUPAC Name:
methyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
InChI:
InChI=1S/C15H19NO4S/c1-11(17)21-10-13(8-12-6-4-3-5-7-12)15(19)16-9-14(18)20-2/h3-7,13H,8-10H2,1-2H3,(H,16,19)/t13-/m1/s1
InChI Key:
ZZQJPPJIRYFBFN-CYBMUJFWSA-N
SMILES:
COC(=O)CNC(=O)[C@H](Cc1ccccc1)CSC(=O)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.103g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.