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82922-44-9 | Glycine,N-[1-oxo-2-[(3,4,5-trimethoxybenzoyl)thio]propyl]-
CAS No: 82922-44-9 Catalog No: AG005EP4 MDL No:
Product Description
Catalog Number:
AG005EP4
Chemical Name:
Glycine,N-[1-oxo-2-[(3,4,5-trimethoxybenzoyl)thio]propyl]-
CAS Number:
82922-44-9
Molecular Formula:
C15H19NO7S
Molecular Weight:
357.3789
IUPAC Name:
2-[2-(3,4,5-trimethoxybenzoyl)sulfanylpropanoylamino]acetic acid
InChI:
InChI=1S/C15H19NO7S/c1-8(14(19)16-7-12(17)18)24-15(20)9-5-10(21-2)13(23-4)11(6-9)22-3/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18)
InChI Key:
IJOXGJOZIPBDDG-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)SC(C(=O)NCC(=O)O)C
EC Number:
280-065-1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.088g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.377g/mol
Monoisotopic Mass:
357.088g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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