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Cbz-Aad (OtBu) -OH.DCHA

CAT: 0127-OR1103187-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1103187-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201668-30-6
MDL Number
MFCD00237378
Purity
95%
Smiles
O=C (O) [C@@H] (NC (OCC1=CC=CC=C1) =O) CCCC (OC (C) (C) C) =O.C2 (NC3CCCCC3) CCCCC2

Chemical Information

Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoate
CAS Number201668-30-6
PubChem CID56777386
IUPAC NameN-cyclohexylcyclohexanamine;(2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC30H48N2O6
Molecular Weight532.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity567
SMILES
CC(C)(C)OC(=O)CCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C18H25NO6.C12H23N/c1-18(2,3)25-15(20)11-7-10-14(16(21)22)19-17(23)24-12-13-8-5-4-6-9-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,23)(H,21,22);11-13H,1-10H2/t14-;/m0./s1
InChIKey
RYOMDXINFGAENM-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of Dicyclohexylamine (S)-2-(((benzyloxy)carbonyl)amino)-6-(tert-butoxy)-6-oxohexanoate
CAS: 201668-30-6
CID: 56777386
Formula: C30H48N2O6
MW: 532.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass532.35123726
Monoisotopic Mass532.35123726
Topological Polar Surface Area114 Ų
Heavy Atom Count38
Formal Charge0
Complexity567
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
C-3790.0005Z-Aad(OtBu)-OH · DCHA
F-3150.0005H-Aad(OtBu)-OH
4025236.0005H-Aad (OtBu) -OH
B-2440.0001Fmoc-Aad(OtBu)-OH
4025264.0005Fmoc-Aad (OtBu) -OH
MBS9023350-01Boc-D-Aad(OtBu)-OH
MBS9023357-01Fmoc-D-Aad(OtBu)-OH
CSB-DT2858Boc-D-Aad (OtBu) -OH
CSB-DT2865Fmoc-D-Aad (OtBu) -OH
CSB-DT1991Cbz-L-β-homoAsp (otBu) -OH

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