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88556-81-4 | L-Glutamic acid, N-[N-(1-oxohexadecyl)-L-valyl]-
CAS No: 88556-81-4 Catalog No: AG004CCL MDL No:
Product Description
Catalog Number:
AG004CCL
Chemical Name:
L-Glutamic acid, N-[N-(1-oxohexadecyl)-L-valyl]-
CAS Number:
88556-81-4
Molecular Formula:
C26H48N2O6
Molecular Weight:
484.6691
IUPAC Name:
2-[[2-(hexadecanoylamino)-3-methylbutanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C26H48N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29)28-24(20(2)3)25(32)27-21(26(33)34)18-19-23(30)31/h20-21,24H,4-19H2,1-3H3,(H,27,32)(H,28,29)(H,30,31)(H,33,34)
InChI Key:
NNELCPWEJXSQDM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)C(C)C
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.351g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
484.678g/mol
Monoisotopic Mass:
484.351g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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