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Z-Dab (Boc) -OH · DCHA

CAT: 0121-4016007.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4016007.0005Size:5 g
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CAS Number
3350-13-8
Specifications
C-3510.0005
Sequence
Z-Dab (Boc) -OH · DCHA
Molecular Formula
C₁₇H₂₄N₂O₆ · C₁₂H₂₃N
Molecular Weight
533.71
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoate
CAS Number3350-13-8
PubChem CID49853427
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)butanoic acid
Molecular FormulaC29H47N3O6
Molecular Weight533.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity571
SMILES
CC(C)(C)OC(=O)NCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C17H24N2O6.C12H23N/c1-17(2,3)25-15(22)18-10-9-13(14(20)21)19-16(23)24-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21);11-13H,1-10H2/t13-;/m0./s1
InChIKey
CYMIEBREXUYHGN-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-4-((tert-butoxycarbonyl)amino)butanoate
CAS: 3350-13-8
CID: 49853427
Formula: C29H47N3O6
MW: 533.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight533.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass533.34648623
Monoisotopic Mass533.34648623
Topological Polar Surface Area126 Ų
Heavy Atom Count38
Formal Charge0
Complexity571
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

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Alternative Products

CatalogName
OR72456Z-Dab (Boc) -OH.DCHA
OR36398-01Boc-Dab (Z) -OH · DCHA
5-04717Boc-Dab(Z)-OH·DCHA
5-04750Boc-D-Dab(Z)-OH·DCHA
sc-293826Boc-L-Dab (Z) -OH*DCHA
443201-01Boc-d-dab (z) -oh DCHA
sc-293729ABoc-D-Dab (Z) -OH*DCHA
sc-296732AZ-D-Dab (Boc) -OH*DCHA
sc-296781AZ-L-Dab (Boc) -OH*DCHA
5-04713Boc-Dab(Boc)-OH·DCHA

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