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850474-17-8 | L-Glutamine, L-methionyl-L-prolyl-
CAS No: 850474-17-8 Catalog No: AG004PRR MDL No:
Product Description
Catalog Number:
AG004PRR
Chemical Name:
L-Glutamine, L-methionyl-L-prolyl-
CAS Number:
850474-17-8
Molecular Formula:
C15H26N4O5S
Molecular Weight:
374.4557
IUPAC Name:
(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C15H26N4O5S/c1-25-8-6-9(16)14(22)19-7-2-3-11(19)13(21)18-10(15(23)24)4-5-12(17)20/h9-11H,2-8,16H2,1H3,(H2,17,20)(H,18,21)(H,23,24)/t9-,10-,11-/m0/s1
InChI Key:
QEDGNYFHLXXIDC-DCAQKATOSA-N
SMILES:
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCC(=O)N)N
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
374.162g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
374.456g/mol
Monoisotopic Mass:
374.162g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
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