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77875-71-9 | L-Glutamine, L-lysyl-L-lysylglycyl-
CAS No: 77875-71-9 Catalog No: AG005EQU MDL No:
Product Description
Catalog Number:
AG005EQU
Chemical Name:
L-Glutamine, L-lysyl-L-lysylglycyl-
CAS Number:
77875-71-9
Molecular Formula:
C19H37N7O6
Molecular Weight:
459.5404
IUPAC Name:
(2S)-5-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C19H37N7O6/c20-9-3-1-5-12(22)17(29)26-13(6-2-4-10-21)18(30)24-11-16(28)25-14(19(31)32)7-8-15(23)27/h12-14H,1-11,20-22H2,(H2,23,27)(H,24,30)(H,25,28)(H,26,29)(H,31,32)/t12-,13-,14-/m0/s1
InChI Key:
WPTJOZBUDCWFCM-IHRRRGAJSA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCC(=O)N)NC(=O)[C@H](CCCCN)N
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
459.281g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
459.548g/mol
Monoisotopic Mass:
459.281g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
246A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8
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