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155114-05-9

155114-05-9 | L-Histidine, L-arginyl-

CAS No: 155114-05-9 Catalog No: AG001NLX MDL No:

Product Description

Catalog Number:
AG001NLX
Chemical Name:
L-Histidine, L-arginyl-
CAS Number:
155114-05-9
Molecular Formula:
C12H21N7O3
Molecular Weight:
311.3402
IUPAC Name:
(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C12H21N7O3/c13-8(2-1-3-17-12(14)15)10(20)19-9(11(21)22)4-7-5-16-6-18-7/h5-6,8-9H,1-4,13H2,(H,16,18)(H,19,20)(H,21,22)(H4,14,15,17)/t8-,9-/m0/s1
InChI Key:
BNODVYXZAAXSHW-IUCAKERBSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]cn1)N

Properties

Complexity:
412  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
311.171g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
311.346g/mol
Monoisotopic Mass:
311.171g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7  

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