L-Phenylalanine,N-(1-oxododecyl)- (14379-64-7)

Identification
Name:	L-Phenylalanine,N-(1-oxododecyl)-
Synonyms:	Alanine,N-lauroyl-3-phenyl- (6CI,7CI);Alanine, N-lauroyl-3-phenyl-, L- (8CI);N-Dodecanoyl-phenylalanine;N-Lauroyl-L-phenylalanine;N-Lauroylphenylalanine;
CAS:	14379-64-7
Molecular Formula:	C₂₁H₃₃NO₃
Molecular Weight:	347.49
InChI:	InChI=1S/Eu/i1-1
Molecular Structure:
Properties
Specification:	The N-Dodecanoyl-L-phenlyalanine with the cas number 14379-64-7 is also called L-Phenylalanine,N-(1-oxododecyl)-. The IUPAC name is (2S)-2-(dodecanoylamino)-3-phenylpropanoic acid. Its molecular formula is C₂₁H₃₃NO₃. Properties Computed from Structure: (1)XLogP3-AA 6.3 ; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 14; (5)Tautomer Count: 2; (6)Exact Mass: 347.246044; (7)MonoIsotopic Mass: 347.246044; (8)Topological Polar Surface Area: 66.4; (9)Heavy Atom Count: 25; (10)Formal Charge: 0; (11)Complexity: 364; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 1; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1. You can still convert the following datas into molecular structure: (1)Canonical SMILES: CCCCCCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)O (2)InChI: InChI=1S/C21H33NO3/c1-2-3-4-5-6-7-8-9-13-16-20(23)22-19(21(24)25)17-18- 14-11-10-12-15-18/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,22,23)(H,24,25)/t19-/m0/s1 (3)InChIKey: RKQUHHNIJVGMIG-IBGZPJMESA-N
Safety Data