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823233-13-2

823233-13-2 | L-Alanine, L-leucyl-L-asparaginyl-L-prolyl-L-lysyl-

CAS No: 823233-13-2 Catalog No: AG005E12 MDL No:

Product Description

Catalog Number:
AG005E12
Chemical Name:
L-Alanine, L-leucyl-L-asparaginyl-L-prolyl-L-lysyl-
CAS Number:
823233-13-2
Molecular Formula:
C24H43N7O7
Molecular Weight:
541.6409
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]propanoic acid
InChI:
InChI=1S/C24H43N7O7/c1-13(2)11-15(26)20(33)30-17(12-19(27)32)23(36)31-10-6-8-18(31)22(35)29-16(7-4-5-9-25)21(34)28-14(3)24(37)38/h13-18H,4-12,25-26H2,1-3H3,(H2,27,32)(H,28,34)(H,29,35)(H,30,33)(H,37,38)/t14-,15-,16-,17-,18-/m0/s1
InChI Key:
LZBNICQQJYIBQB-ATIWLJMLSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)CC(=O)N

Properties

Complexity:
867  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
541.322g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
541.65g/mol
Monoisotopic Mass:
541.322g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
240A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.7  

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