Home Carbonyls D-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-

D-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-

CAS No.:
1033882-31-3
Catalog Number:
AG008TFL
Molecular Formula:
C19H28N4O4
Molecular Weight:
376.4500
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Product Description
Catalog Number:
AG008TFL
Chemical Name:
D-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-
CAS Number:
1033882-31-3
Molecular Formula:
C19H28N4O4
Molecular Weight:
376.4500
MDL Number:
MFCD21496636
IUPAC Name:
(2R)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C19H28N4O4/c1-19(2,3)15(18(26)27)23-17(25)14(12-7-5-4-6-8-12)22-16(24)13-11-20-9-10-21-13/h9-12,14-15H,4-8H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)/t14-,15-/m0/s1
InChI Key:
BZUKJNKTPCZNPM-GJZGRUSLSA-N
SMILES:
O=C([C@H](C1CCCCC1)NC(=O)c1nccnc1)N[C@H](C(C)(C)C)C(=O)O
Properties
Complexity:
540  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
376.211g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
376.457g/mol
Monoisotopic Mass:
376.211g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties