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798540-36-0 | L-Lysine, L-leucyl-L-leucyl-L-valyl-
CAS No: 798540-36-0 Catalog No: AG005GQA MDL No:
Product Description
Catalog Number:
AG005GQA
Chemical Name:
L-Lysine, L-leucyl-L-leucyl-L-valyl-
CAS Number:
798540-36-0
Molecular Formula:
C23H45N5O5
Molecular Weight:
471.6339
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid
InChI:
InChI=1S/C23H45N5O5/c1-13(2)11-16(25)20(29)27-18(12-14(3)4)21(30)28-19(15(5)6)22(31)26-17(23(32)33)9-7-8-10-24/h13-19H,7-12,24-25H2,1-6H3,(H,26,31)(H,27,29)(H,28,30)(H,32,33)/t16-,17-,18-,19-/m0/s1
InChI Key:
ZZHHWSHSMGGMCV-VJANTYMQSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(C)C
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
471.342g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
471.643g/mol
Monoisotopic Mass:
471.342g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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