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872617-55-5

872617-55-5 | L-Lysine, L-valyl-L-cysteinyl-L-histidyl-L-histidyl-

CAS No: 872617-55-5 Catalog No: AG004MIM MDL No:

Product Description

Catalog Number:
AG004MIM
Chemical Name:
L-Lysine, L-valyl-L-cysteinyl-L-histidyl-L-histidyl-
CAS Number:
872617-55-5
Molecular Formula:
C26H42N10O6S
Molecular Weight:
622.7401
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
InChI:
InChI=1S/C26H42N10O6S/c1-14(2)21(28)25(40)36-20(11-43)24(39)35-19(8-16-10-30-13-32-16)23(38)34-18(7-15-9-29-12-31-15)22(37)33-17(26(41)42)5-3-4-6-27/h9-10,12-14,17-21,43H,3-8,11,27-28H2,1-2H3,(H,29,31)(H,30,32)(H,33,37)(H,34,38)(H,35,39)(H,36,40)(H,41,42)/t17-,18-,19-,20-,21-/m0/s1
InChI Key:
NPHIXFGGMGTSSM-SXYSDOLCSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CS)Cc1c[nH]cn1)Cc1c[nH]cn1

Properties

Complexity:
944  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
622.301g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
622.746g/mol
Monoisotopic Mass:
622.301g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
264A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8  

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