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113384-94-4 | L-Proline, 1-[N-(N-benzoyl-L-alanyl)glycyl]-, labeled with tritium (9CI)
CAS No: 113384-94-4 Catalog No: AG0008CZ MDL No:
Product Description
Catalog Number:
AG0008CZ
Chemical Name:
L-Proline, 1-[N-(N-benzoyl-L-alanyl)glycyl]-, labeled with tritium (9CI)
CAS Number:
113384-94-4
IUPAC Name:
(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H21N3O5/c1-11(19-16(23)12-6-3-2-4-7-12)15(22)18-10-14(21)20-9-5-8-13(20)17(24)25/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t11-,13-/m0/s1
InChI Key:
NXZCTGNKKMVOBS-AAEUAGOBSA-N
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
347.148g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.371g/mol
Monoisotopic Mass:
347.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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