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100794-10-3

100794-10-3 | Glycine, L-histidyl-L-histidyl-

CAS No: 100794-10-3 Catalog No: AG0002WD MDL No:

Product Description

Catalog Number:
AG0002WD
Chemical Name:
Glycine, L-histidyl-L-histidyl-
CAS Number:
100794-10-3
Molecular Formula:
C14H19N7O4
Molecular Weight:
349.3452
IUPAC Name:
2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
InChI:
InChI=1S/C14H19N7O4/c15-10(1-8-3-16-6-19-8)13(24)21-11(2-9-4-17-7-20-9)14(25)18-5-12(22)23/h3-4,6-7,10-11H,1-2,5,15H2,(H,16,19)(H,17,20)(H,18,25)(H,21,24)(H,22,23)
InChI Key:
JIUYRPFQJJRSJB-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)N

Properties

Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.15g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
349.351g/mol
Monoisotopic Mass:
349.15g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4  

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