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Z-Lys (Boc) -ONp

CAT: 0127-OR1054382-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1054382-01Size:1 g
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CAS Number
2212-69-3
MDL Number
MFCD00076963
Purity
95%
Smiles
O=C(OC1=CC=C([N+]([O-])=O)C=C1)[C@H](CCCCNC(OC(C)(C)C)=O)NC(OCC2=CC=CC=C2)=O

Chemical Information

Z-Lys(Boc)-ONp
CAS Number2212-69-3
PubChem CID13503265
IUPAC Name(4-nitrophenyl) (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoate
Molecular FormulaC25H31N3O8
Molecular Weight501.5
XLogP4.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count36
Formal Charge0
Complexity720
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C25H31N3O8/c1-25(2,3)36-23(30)26-16-8-7-11-21(27-24(31)34-17-18-9-5-4-6-10-18)22(29)35-20-14-12-19(13-15-20)28(32)33/h4-6,9-10,12-15,21H,7-8,11,16-17H2,1-3H3,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKey
XBMRVOHLFIZDDV-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Z-Lys(Boc)-ONp
CAS: 2212-69-3
CID: 13503265
Formula: C25H31N3O8
MW: 501.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass501.21111496
Monoisotopic Mass501.21111496
Topological Polar Surface Area149 Ų
Heavy Atom Count36
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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5-07371Z-Lys(Boc)-ONp
A-1480.0025Boc-Lys(Z)-ONp
4001873.0005Z-Lys (Boc) -ONp
5-07392Z-D-Lys(Boc)-ONp
HY-W008919-01Boc-Lys (Boc) -Onp
5-05897Boc-Lys(Boc)-ONp
sc-293847ABoc-L-Lys (Boc) -ONp
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