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Bpoc-Ser (tBu) -OH·CHA

CAT: 0926-FB107843-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FB107843-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18635-04-6
MDL Number
MFCD00038883
Smiles
CC (C) (C) OC[C@@H] (C (=O) O) NC (=O) OC (C) (C) C1=CC=C (C=C1) C2=CC=CC=C2.C1CCC (CC1) N
Molecular Formula
C23H29NO5·C6H13N
Molecular Weight
498.65 g/mol
Controlled
No

Chemical Information

Bpoc-Ser(Tbu)-OH CHA
CAS Number18635-04-6
PubChem CID14039221
IUPAC Namecyclohexanamine;(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]propanoic acid
Molecular FormulaC29H42N2O5
Molecular Weight498.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity586
SMILES
CC(C)(C)OC[C@@H](C(=O)O)NC(=O)OC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2.C1CCC(CC1)N
InChI
InChI=1S/C23H29NO5.C6H13N/c1-22(2,3)28-15-19(20(25)26)24-21(27)29-23(4,5)18-13-11-17(12-14-18)16-9-7-6-8-10-16;7-6-4-2-1-3-5-6/h6-14,19H,15H2,1-5H3,(H,24,27)(H,25,26);6H,1-5,7H2/t19-;/m0./s1
InChIKey
YEAJOHYGKAYNGC-FYZYNONXSA-N
Chemical Structure
2D Structure
2D structure of Bpoc-Ser(Tbu)-OH CHA
CAS: 18635-04-6
CID: 14039221
Formula: C29H42N2O5
MW: 498.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass498.30937244
Monoisotopic Mass498.30937244
Topological Polar Surface Area111 Ų
Heavy Atom Count36
Formal Charge0
Complexity586
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
E-2970.0005Bpoc-Ser(tBu)-OH · CHA
E-1635.0005Bpoc-Thr(tBu)-OH · CHA
5-06835Fmoc-Ser(tBu)-Ser(tBu)-OH
RM-F131541-01Fmoc-Ser (Tbu) -Ser (Tbu) -Oh
BI9903Fmoc-Ser (tBu) -Ser-OH
OR1102553-01H-D-Ser (tBu) -Ser (tBu) -Gly-OH
OR1102920-01H-Ser (tBu) -D-Ser (tBu) -Gly-OH
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