(S) -NIFE

CAT: 0024-sc-253524BSize: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-253524BSize:500 mg

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CAS Number

328406-65-1

Chemical Information

2-Methoxyethyl N-((4-nitrophenoxy)carbonyl)-L-phenylalaninate

CAS Number	328406-65-1
PubChem CID	16218750
IUPAC Name	2-methoxyethyl (2S)-2-[(4-nitrophenoxy)carbonylamino]-3-phenylpropanoate
Molecular Formula	C19H20N2O7
Molecular Weight	388.4
XLogP	3.1
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	28
Formal Charge	0
Complexity	509

SMILES

COCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c1-26-11-12-27-18(22)17(13-14-5-3-2-4-6-14)20-19(23)28-16-9-7-15(8-10-16)21(24)25/h2-10,17H,11-13H2,1H3,(H,20,23)/t17-/m0/s1

InChIKey

ZSOUYIBYVUBOGT-KRWDZBQOSA-N

Chemical Structure

2D Structure

CAS: 328406-65-1

CID: 16218750

Formula: C19H20N2O7

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	388.12705098
Monoisotopic Mass	388.12705098
Topological Polar Surface Area	120 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	509
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-215832	(S, R, S, S) -Orlistat
sc-258097	(S, S, S) -DiazaPhos-PPE
sc-250918A	(S, S) -Jacobsen's catalyst
sc-487380	(S, S, S) -Triglycidyl Isocyanurate
sc-250918	(S, S) -Jacobsen's catalyst
sc-471831	(S, S) -Oxaliplatin
sc-253457	(S, S) - (-) -Hydrobenzoin
sc-250916	(S, S) -DIPAMP
sc-477698	(R, S, S, S) -Nebivolol Hydrochloride
sc-229148	RuCl2[ (S) - (DM-BINAP) ][ (S, S) -DPEN]

Catalog	Name
HY-137025-01	(S) -NIFE
MBS1291866-01	Recombinant Nostoc sp. Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1072025-01	Recombinant Cyanothece sp. Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1426093-01	Recombinant Rhizobium meliloti Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1202059-01	Recombinant Rhizobium sp. Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1049431-01	Recombinant Azotobacter vinelandii Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1033730-01	Recombinant Methanococcus maripaludis Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1130594-01	Recombinant Clostridium pasteurianum Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1171615-01	Recombinant Klebsiella pneumoniae Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)
MBS1318849-01	Recombinant Rhizobium loti Nitrogenase iron-molybdenum cofactor biosynthesis protein NifE (nifE)