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148417-23-6

148417-23-6 | Glycinamide, 1-acetyl-L-prolyl-L-leucyl-N-(di-1H-imidazol-2-ylmethyl)- (9CI)

CAS No: 148417-23-6 Catalog No: AG001KX8 MDL No:

Product Description

Catalog Number:
AG001KX8
Chemical Name:
Glycinamide, 1-acetyl-L-prolyl-L-leucyl-N-(di-1H-imidazol-2-ylmethyl)- (9CI)
CAS Number:
148417-23-6
Molecular Formula:
C22H32N8O4
Molecular Weight:
472.5407
IUPAC Name:
1-acetyl-N-[1-[[2-[bis(1H-imidazol-2-yl)methylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
InChI:
InChI=1S/C22H32N8O4/c1-13(2)11-15(28-22(34)16-5-4-10-30(16)14(3)31)21(33)27-12-17(32)29-18(19-23-6-7-24-19)20-25-8-9-26-20/h6-9,13,15-16,18H,4-5,10-12H2,1-3H3,(H,23,24)(H,25,26)(H,27,33)(H,28,34)(H,29,32)
InChI Key:
PCBCCNXAUTVPSQ-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)NC(c1ncc[nH]1)c1ncc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)C)C

Properties

Complexity:
732  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.255g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
472.55g/mol
Monoisotopic Mass:
472.255g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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