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100922-54-1 | L-Lysine, N2-(N-L-γ-glutamyl-L-γ-glutamyl)- (9CI)
CAS No: 100922-54-1 Catalog No: AG00037L MDL No:
Product Description
Catalog Number:
AG00037L
Chemical Name:
L-Lysine, N2-(N-L-γ-glutamyl-L-γ-glutamyl)- (9CI)
CAS Number:
100922-54-1
Molecular Formula:
C16H28N4O8
Molecular Weight:
404.4155
IUPAC Name:
(2S)-6-amino-2-[[(4S)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid
InChI:
InChI=1S/C16H28N4O8/c17-8-2-1-3-10(15(25)26)19-13(22)7-5-11(16(27)28)20-12(21)6-4-9(18)14(23)24/h9-11H,1-8,17-18H2,(H,19,22)(H,20,21)(H,23,24)(H,25,26)(H,27,28)/t9-,10-,11-/m0/s1
InChI Key:
ALSOBLJLPFYJBR-DCAQKATOSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
404.191g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
404.42g/mol
Monoisotopic Mass:
404.191g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7
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