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120051-51-6 | L-Lysine, L-prolyl-L-seryl-L-lysyl- (9CI)
CAS No: 120051-51-6 Catalog No: AG000Q7F MDL No:
Product Description
Catalog Number:
AG000Q7F
Chemical Name:
L-Lysine, L-prolyl-L-seryl-L-lysyl- (9CI)
CAS Number:
120051-51-6
Molecular Formula:
C20H38N6O6
Molecular Weight:
458.5523
IUPAC Name:
6-amino-2-[[6-amino-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]hexanoyl]amino]hexanoic acid
InChI:
InChI=1S/C20H38N6O6/c21-9-3-1-6-14(18(29)25-15(20(31)32)7-2-4-10-22)24-19(30)16(12-27)26-17(28)13-8-5-11-23-13/h13-16,23,27H,1-12,21-22H2,(H,24,30)(H,25,29)(H,26,28)(H,31,32)
InChI Key:
NMNLXFGILREBDI-UHFFFAOYSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)CO
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.285g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
458.56g/mol
Monoisotopic Mass:
458.285g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.5
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