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164583-05-5

164583-05-5 | L-Phenylalaninamide, L-leucyl-N-(phenylmethyl)- (9CI)

CAS No: 164583-05-5 Catalog No: AG001UY8 MDL No:

Product Description

Catalog Number:
AG001UY8
Chemical Name:
L-Phenylalaninamide, L-leucyl-N-(phenylmethyl)- (9CI)
CAS Number:
164583-05-5
Molecular Formula:
C22H29N3O2
Molecular Weight:
367.4846
IUPAC Name:
(2S)-2-amino-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-4-methylpentanamide
InChI:
InChI=1S/C22H29N3O2/c1-16(2)13-19(23)21(26)25-20(14-17-9-5-3-6-10-17)22(27)24-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15,23H2,1-2H3,(H,24,27)(H,25,26)/t19-,20-/m0/s1
InChI Key:
HPQORYLVLPZVLU-PMACEKPBSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)NCc1ccccc1)Cc1ccccc1)N)C

Properties

Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
367.226g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
367.493g/mol
Monoisotopic Mass:
367.226g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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