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125366-36-1 | L-Glutamine, L-glutaminyl-L-lysyl-L-seryl-L-lysyl-
CAS No: 125366-36-1 Catalog No: AG000NJM MDL No:
Product Description
Catalog Number:
AG000NJM
Chemical Name:
L-Glutamine, L-glutaminyl-L-lysyl-L-seryl-L-lysyl-
CAS Number:
125366-36-1
Molecular Formula:
C25H47N9O9
Molecular Weight:
617.6956
IUPAC Name:
5-amino-2-[[6-amino-2-[[2-[[6-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C25H47N9O9/c26-11-3-1-5-15(31-21(38)14(28)7-9-19(29)36)23(40)34-18(13-35)24(41)32-16(6-2-4-12-27)22(39)33-17(25(42)43)8-10-20(30)37/h14-18,35H,1-13,26-28H2,(H2,29,36)(H2,30,37)(H,31,38)(H,32,41)(H,33,39)(H,34,40)(H,42,43)
InChI Key:
KCLNPLGTKPSOBU-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CCCCN)CO)NC(=O)[C@H](CCC(=O)N)N
Properties
Complexity:
951
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
617.35g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
617.705g/mol
Monoisotopic Mass:
617.35g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
338A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.9
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