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88576-75-4 | L-Alaninamide, N-acetyl-L-alanyl-N-[2-oxo-1-(phenylmethyl)propyl]-, (S)-
CAS No: 88576-75-4 Catalog No: AG004BUN MDL No:
Product Description
Catalog Number:
AG004BUN
Chemical Name:
L-Alaninamide, N-acetyl-L-alanyl-N-[2-oxo-1-(phenylmethyl)propyl]-, (S)-
CAS Number:
88576-75-4
Molecular Formula:
C18H25N3O4
Molecular Weight:
347.4088
IUPAC Name:
2-acetamido-N-[1-oxo-1-[(3-oxo-1-phenylbutan-2-yl)amino]propan-2-yl]propanamide
InChI:
InChI=1S/C18H25N3O4/c1-11(19-14(4)23)17(24)20-12(2)18(25)21-16(13(3)22)10-15-8-6-5-7-9-15/h5-9,11-12,16H,10H2,1-4H3,(H,19,23)(H,20,24)(H,21,25)
InChI Key:
GMKPXOVWCYLOAI-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)C)Cc1ccccc1)C)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.185g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
347.415g/mol
Monoisotopic Mass:
347.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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