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798541-22-7 | L-Alanine, L-valyl-L-lysyl-L-alanyl-
CAS No: 798541-22-7 Catalog No: AG0055B8 MDL No:
Product Description
Catalog Number:
AG0055B8
Chemical Name:
L-Alanine, L-valyl-L-lysyl-L-alanyl-
CAS Number:
798541-22-7
Molecular Formula:
C17H33N5O5
Molecular Weight:
387.4744
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoic acid
InChI:
InChI=1S/C17H33N5O5/c1-9(2)13(19)16(25)22-12(7-5-6-8-18)15(24)20-10(3)14(23)21-11(4)17(26)27/h9-13H,5-8,18-19H2,1-4H3,(H,20,24)(H,21,23)(H,22,25)(H,26,27)/t10-,11-,12-,13-/m0/s1
InChI Key:
MVYHQJKQJQDHLW-CYDGBPFRSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)NC(=O)[C@H](C(C)C)N
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
387.248g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
387.481g/mol
Monoisotopic Mass:
387.248g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6
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