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874945-31-0 | L-Valinyl-L-leucinyl Anilide
CAS No: 874945-31-0 Catalog No: AG004DS5 MDL No:
Product Description
Catalog Number:
AG004DS5
Chemical Name:
L-Valinyl-L-leucinyl Anilide
CAS Number:
874945-31-0
Molecular Formula:
C17H27N3O2
Molecular Weight:
305.4152
IUPAC Name:
2-[(2-amino-3-methylbutanoyl)amino]-4-methyl-N-phenylpentanamide
InChI:
InChI=1S/C17H27N3O2/c1-11(2)10-14(20-17(22)15(18)12(3)4)16(21)19-13-8-6-5-7-9-13/h5-9,11-12,14-15H,10,18H2,1-4H3,(H,19,21)(H,20,22)
InChI Key:
LODYUHYUFPJMPF-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)N)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.21g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.422g/mol
Monoisotopic Mass:
305.21g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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