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139362-71-3 | Glycine, N-[N-[6-[(2-ethoxyethyl)thio]-1,6-dioxohexyl]glycyl]- (9CI)
CAS No: 139362-71-3 Catalog No: AG001AUQ MDL No:
Product Description
Catalog Number:
AG001AUQ
Chemical Name:
Glycine, N-[N-[6-[(2-ethoxyethyl)thio]-1,6-dioxohexyl]glycyl]- (9CI)
CAS Number:
139362-71-3
Molecular Formula:
C14H24N2O6S
Molecular Weight:
348.4152
IUPAC Name:
2-[[2-[[6-(2-ethoxyethylsulfanyl)-6-oxohexanoyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C14H24N2O6S/c1-2-22-7-8-23-14(21)6-4-3-5-11(17)15-9-12(18)16-10-13(19)20/h2-10H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChI Key:
RRDLRNDMLDOEGT-UHFFFAOYSA-N
SMILES:
CCOCCSC(=O)CCCCC(=O)NCC(=O)NCC(=O)O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
348.414g/mol
Monoisotopic Mass:
348.136g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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