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Z-His(Dnp)-OH

CAT: 0607-A6961-25000Size: 25 gDry Ice: NoHazardous: No
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CAT#:0607-A6961-25000Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63013-46-7
Product Name Alternative
(S,E)-2-(((benzyloxy)(hydroxy)methylene)amino)-3-(1-(2,4-dinitrophenyl)-1H-imidazol-4-yl)propanoic acid
Field of Research
Amino Acids & Building Blocks Z-Amino Acids and Derivatives
Purity
0.98
Smiles
O=C(O)[C@](/N=C(OCC1=CC=CC=C1)\O)([H])CC2=CN(C3=C(N(=O)=O)C=C(N(=O)=O)C=C3)C=N2
Molecular Formula
C20H17O8N5
Molecular Weight
455.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1-(2,4-dinitrophenyl)-1H-imidazol-4-yl)propanoic acid
CAS Number63013-46-7
PubChem CID11676860
IUPAC Name(2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular FormulaC20H17N5O8
Molecular Weight455.4
XLogP2.5
Topological Polar Surface Area185
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity720
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CN(C=N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C20H17N5O8/c26-19(27)16(22-20(28)33-11-13-4-2-1-3-5-13)8-14-10-23(12-21-14)17-7-6-15(24(29)30)9-18(17)25(31)32/h1-7,9-10,12,16H,8,11H2,(H,22,28)(H,26,27)/t16-/m0/s1
InChIKey
GHVOUAVUVLSUDB-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(((Benzyloxy)carbonyl)amino)-3-(1-(2,4-dinitrophenyl)-1H-imidazol-4-yl)propanoic acid
CAS: 63013-46-7
CID: 11676860
Formula: C20H17N5O8
MW: 455.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass455.10771252
Monoisotopic Mass455.10771252
Topological Polar Surface Area185 Ų
Heavy Atom Count33
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
5-07334Z-His(Dnp)-OH
5-07338Z-D-His(Dnp)-OH
5-05823Boc-His(Dnp)-OH
5-05826Boc-His(Dnp)-OH·IPA
5-07325Z-His-OH
OR1101516-01Boc-His (Dnp) -OH-IPA
5-07332Z-His(Z)-OH·EtOH
TXB-00174-01Dnp-Pro-OH
5-05845Boc-D-His(DNp)-OH·IPA
A-1595.0025Boc-His(Dnp)-OH isopropanol solvate

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