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122605-96-3 | L-Glutamic acid, N-(N2-L-threonyl-L-lysyl)- (9CI)
CAS No: 122605-96-3 Catalog No: AG0017IO MDL No:
Product Description
Catalog Number:
AG0017IO
Chemical Name:
L-Glutamic acid, N-(N2-L-threonyl-L-lysyl)- (9CI)
CAS Number:
122605-96-3
Molecular Formula:
C15H28N4O7
Molecular Weight:
376.4054
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C15H28N4O7/c1-8(20)12(17)14(24)18-9(4-2-3-7-16)13(23)19-10(15(25)26)5-6-11(21)22/h8-10,12,20H,2-7,16-17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,9+,10+,12+/m1/s1
InChI Key:
SCSVNSNWUTYSFO-WDCWCFNPSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)NC(=O)[C@H]([C@H](O)C)N
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
376.196g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
376.41g/mol
Monoisotopic Mass:
376.196g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
205A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.2
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