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Boc-Cys (Trt) -OH

CAT: 0127-OR36373-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR36373-01Size:25 g
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CAS Number
21947-98-8
MDL Number
MFCD00038251
Purity
98%
Smiles
CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)O
Storage Conditions
Store at 2-8°C

Chemical Information

N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine
CAS Number21947-98-8
PubChem CID89557
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoic acid
Molecular FormulaC27H29NO4S
Molecular Weight463.6
XLogP5.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity583
SMILES
CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C27H29NO4S/c1-26(2,3)32-25(31)28-23(24(29)30)19-33-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)
InChIKey
JDTOWOURWBDELG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine
CAS: 21947-98-8
CID: 89557
Formula: C27H29NO4S
MW: 463.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.6
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass463.18172958
Monoisotopic Mass463.18172958
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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4003922.0025Boc-Cys (Trt) -OH
5-05682Boc-Cys(Trt)-NH2
abx188623Boc-Cys(Trt)-Oh
5-05679Boc-Cys(Trt)-OSu
A-3265.0005Boc-D-Cys(Trt)-OH
HY-W010835-01Boc-D-Cys (Trt) -OH
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