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88719-71-5 | Glycine, N-[3-(acetylthio)-2-methyl-1-oxopropyl]-N-(3-phenoxypropyl)-
CAS No: 88719-71-5 Catalog No: AG0045TO MDL No:
Product Description
Catalog Number:
AG0045TO
Chemical Name:
Glycine, N-[3-(acetylthio)-2-methyl-1-oxopropyl]-N-(3-phenoxypropyl)-
CAS Number:
88719-71-5
Molecular Formula:
C17H23NO5S
Molecular Weight:
353.4332
IUPAC Name:
2-[(3-acetylsulfanyl-2-methylpropanoyl)-(3-phenoxypropyl)amino]acetic acid
InChI:
InChI=1S/C17H23NO5S/c1-13(12-24-14(2)19)17(22)18(11-16(20)21)9-6-10-23-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,20,21)
InChI Key:
HFJRPHXIPRMAQE-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(=O)C(CSC(=O)C)C)CCCOc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.13g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.433g/mol
Monoisotopic Mass:
353.13g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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