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87230-85-1 | L-Lysine,N2-[N-(N-glycyl-L-seryl)-L-histidyl]- (9CI)
CAS No: 87230-85-1 Catalog No: AG004JDP MDL No:
Product Description
Catalog Number:
AG004JDP
Chemical Name:
L-Lysine,N2-[N-(N-glycyl-L-seryl)-L-histidyl]- (9CI)
CAS Number:
87230-85-1
Molecular Formula:
C17H29N7O6
Molecular Weight:
427.4555
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
InChI:
InChI=1S/C17H29N7O6/c18-4-2-1-3-11(17(29)30)23-15(27)12(5-10-7-20-9-21-10)24-16(28)13(8-25)22-14(26)6-19/h7,9,11-13,25H,1-6,8,18-19H2,(H,20,21)(H,22,26)(H,23,27)(H,24,28)(H,29,30)/t11-,12-,13-/m0/s1
InChI Key:
WZUMSFQGYWBRNX-AVGNSLFASA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CO)Cc1nc[nH]c1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
427.218g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
427.462g/mol
Monoisotopic Mass:
427.218g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7
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