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210832-64-7 | L-Lysine, L-glutaminyl-L-cysteinyl-L-alanyl- (9CI)
CAS No: 210832-64-7 Catalog No: AG002L02 MDL No:
Product Description
Catalog Number:
AG002L02
Chemical Name:
L-Lysine, L-glutaminyl-L-cysteinyl-L-alanyl- (9CI)
CAS Number:
210832-64-7
Molecular Formula:
C17H32N6O6S
Molecular Weight:
448.5376
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]hexanoic acid
InChI:
InChI=1S/C17H32N6O6S/c1-9(14(25)22-11(17(28)29)4-2-3-7-18)21-16(27)12(8-30)23-15(26)10(19)5-6-13(20)24/h9-12,30H,2-8,18-19H2,1H3,(H2,20,24)(H,21,27)(H,22,25)(H,23,26)(H,28,29)/t9-,10-,11-,12-/m0/s1
InChI Key:
BAYOYDXUFHYYLD-BJDJZHNGSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)N)CS)C
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
448.21g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
448.539g/mol
Monoisotopic Mass:
448.21g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
221A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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