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Z-L-Phe-CHN2

CAT: 0024-sc-286921Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-286921Size:1 g
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CAS Number
15196-02-8

Chemical Information

N-Benzyloxycarbonylphenylalanine diazomethyl ketone

protease inhibitor; RN given refers to (S)-isomer

CAS Number15196-02-8
PubChem CID189029
IUPAC Namebenzyl N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]carbamate
Molecular FormulaC18H17N3O3
Molecular Weight323.3
XLogP3.2
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,12,16H,11,13H2,(H,21,23)/t16-/m0/s1
InChIKey
WLGLEWHRLFWXLX-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of N-Benzyloxycarbonylphenylalanine diazomethyl ketone
CAS: 15196-02-8
CID: 189029
Formula: C18H17N3O3
MW: 323.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.3
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass323.12699141
Monoisotopic Mass323.12699141
Topological Polar Surface Area57.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes