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113857-59-3 | L-Isoleucine, N-(1-oxodecyl)-
CAS No: 113857-59-3 Catalog No: AG0009YM MDL No:
Product Description
Catalog Number:
AG0009YM
Chemical Name:
L-Isoleucine, N-(1-oxodecyl)-
CAS Number:
113857-59-3
Molecular Formula:
C16H31NO3
Molecular Weight:
285.4222
IUPAC Name:
2-(decanoylamino)-3-methylpentanoic acid
InChI:
InChI=1S/C16H31NO3/c1-4-6-7-8-9-10-11-12-14(18)17-15(16(19)20)13(3)5-2/h13,15H,4-12H2,1-3H3,(H,17,18)(H,19,20)
InChI Key:
FSPJHGMNPFJBDZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)N[C@@H]([C@H](CC)C)C(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.428g/mol
Monoisotopic Mass:
285.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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