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Z-Lys(Boc)-OH.DCHA

CAT: 0607-A6614-25000Size: 25 gDry Ice: NoHazardous: No
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CAT#:0607-A6614-25000Size:25 g
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CAS Number
2212-76-2
Product Name Alternative
N-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
Purity
0.98
Smiles
CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
Molecular Formula
C31H51N3O6
Molecular Weight
561.75
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Z-Lys(Boc)-OH.DCHA
CAS Number2212-76-2
PubChem CID6451374
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC31H51N3O6
Molecular Weight561.8
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count40
Formal Charge0
Complexity599
SMILES
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C19H28N2O6.C12H23N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2/t15-;/m0./s1
InChIKey
VTDLJMATIHSOTR-RSAXXLAASA-N
Chemical Structure
2D Structure
2D structure of Z-Lys(Boc)-OH.DCHA
CAS: 2212-76-2
CID: 6451374
Formula: C31H51N3O6
MW: 561.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight561.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass561.37778636
Monoisotopic Mass561.37778636
Topological Polar Surface Area126 Ų
Heavy Atom Count40
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes