Home Carboxys L-Leucine, N-formyl-, (1S)-1-[(2S,3S)-3-carboxy-2-hydroxynonyl]dodecyl ester

L-Leucine, N-formyl-, (1S)-1-[(2S,3S)-3-carboxy-2-hydroxynonyl]dodecyl ester

CAS No.:
130676-66-3
Catalog Number:
AG000USO
Molecular Formula:
C29H55NO6
Molecular Weight:
513.7501
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Product Description
Catalog Number:
AG000USO
Chemical Name:
L-Leucine, N-formyl-, (1S)-1-[(2S,3S)-3-carboxy-2-hydroxynonyl]dodecyl ester
CAS Number:
130676-66-3
Molecular Formula:
C29H55NO6
Molecular Weight:
513.7501
MDL Number:
MFCD12407133
IUPAC Name:
(2S,3S,5S)-5-[(2S)-2-formamido-4-methylpentanoyl]oxy-2-hexyl-3-hydroxyhexadecanoic acid
InChI:
InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1
InChI Key:
FKUNIADJSAJLGB-FWEHEUNISA-N
SMILES:
CCCCCCCCCCC[C@@H](C[C@@H]([C@@H](C(=O)O)CCCCCC)O)OC(=O)[C@H](CC(C)C)NC=O
Properties
Complexity:
568  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
513.403g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
513.76g/mol
Monoisotopic Mass:
513.403g/mol
Rotatable Bond Count:
25  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2  
Properties