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114019-60-2 | L-Serine, N-[N-[N-(1-oxotetradecyl)glycyl]-L-seryl]- (9CI)
CAS No: 114019-60-2 Catalog No: AG000AB7 MDL No:
Product Description
Catalog Number:
AG000AB7
Chemical Name:
L-Serine, N-[N-[N-(1-oxotetradecyl)glycyl]-L-seryl]- (9CI)
CAS Number:
114019-60-2
Molecular Formula:
C22H41N3O7
Molecular Weight:
459.5768
IUPAC Name:
3-hydroxy-2-[[3-hydroxy-2-[[2-(tetradecanoylamino)acetyl]amino]propanoyl]amino]propanoic acid
InChI:
InChI=1S/C22H41N3O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(28)23-14-20(29)24-17(15-26)21(30)25-18(16-27)22(31)32/h17-18,26-27H,2-16H2,1H3,(H,23,28)(H,24,29)(H,25,30)(H,31,32)
InChI Key:
NHBVPHGCALISRD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CO
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.294g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
459.584g/mol
Monoisotopic Mass:
459.294g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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