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182065-89-0 | L-Lysine, L-leucyl-L-lysyl-L-seryl-L-lysyl- (9CI)
CAS No: 182065-89-0 Catalog No: AG0023BS MDL No:
Product Description
Catalog Number:
AG0023BS
Chemical Name:
L-Lysine, L-leucyl-L-lysyl-L-seryl-L-lysyl- (9CI)
CAS Number:
182065-89-0
Molecular Formula:
C27H54N8O7
Molecular Weight:
602.7671
IUPAC Name:
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoic acid
InChI:
InChI=1S/C27H54N8O7/c1-17(2)15-18(31)23(37)32-19(9-3-6-12-28)25(39)35-22(16-36)26(40)33-20(10-4-7-13-29)24(38)34-21(27(41)42)11-5-8-14-30/h17-22,36H,3-16,28-31H2,1-2H3,(H,32,37)(H,33,40)(H,34,38)(H,35,39)(H,41,42)/t18-,19-,20-,21-,22-/m0/s1
InChI Key:
JOKMWMNWUVVFJS-YFNVTMOMSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CCCCN)CO
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
602.412g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
602.778g/mol
Monoisotopic Mass:
602.412g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
278A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.9
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