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14379-48-7 | L-Isoleucine, N-(1-oxododecyl)-
CAS No: 14379-48-7 Catalog No: AG001IDL MDL No:
Product Description
Catalog Number:
AG001IDL
Chemical Name:
L-Isoleucine, N-(1-oxododecyl)-
CAS Number:
14379-48-7
Molecular Formula:
C18H35NO3
Molecular Weight:
313.4754
IUPAC Name:
(2S,3S)-2-(dodecanoylamino)-3-methylpentanoic acid
InChI:
InChI=1S/C18H35NO3/c1-4-6-7-8-9-10-11-12-13-14-16(20)19-17(18(21)22)15(3)5-2/h15,17H,4-14H2,1-3H3,(H,19,20)(H,21,22)/t15-,17-/m0/s1
InChI Key:
IVNYHFWUYNDIDY-RDJZCZTQSA-N
SMILES:
CCCCCCCCCCCC(=O)N[C@@H]([C@H](CC)C)C(=O)O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
313.262g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.482g/mol
Monoisotopic Mass:
313.262g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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