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Boc-Lys (Z) -OMe

CAT: 0121-4003830.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4003830.0001Size:1 g
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CAS Number
73548-77-3
Specifications
A-4790.0001
Sequence
Boc-Lys (Z) -OMe
Molecular Formula
C₂₀H₃₀N₂O₆
Molecular Weight
394.47
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

Boc-L-Lys(Z)-OMe
CAS Number73548-77-3
PubChem CID11132998
IUPAC Namemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate
Molecular FormulaC20H30N2O6
Molecular Weight394.5
XLogP3.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C20H30N2O6/c1-20(2,3)28-19(25)22-16(17(23)26-4)12-8-9-13-21-18(24)27-14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKey
PUJVYJATJHQXRX-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Boc-L-Lys(Z)-OMe
CAS: 73548-77-3
CID: 11132998
Formula: C20H30N2O6
MW: 394.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass394.21038668
Monoisotopic Mass394.21038668
Topological Polar Surface Area103 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
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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