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Boc-Cys (Mbzl) -OH

CAT: 0121-4010026.0025Size: 25 gDry Ice: NoHazardous: No
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CAT#:0121-4010026.0025Size:25 g
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CAS Number
61925-77-7
Specifications
A-2030.0025
Sequence
Boc-Cys (Mbzl) -OH
Molecular Formula
C₁₆H₂₃NO₄S
Molecular Weight
325.43
Shipping Conditions
Ambient Temperature
Storage Temperature
Room temperature

Chemical Information

N-alpha-t-Butyloxycarbonyl-S-(4-methyl-benzyl)-L-cysteine
CAS Number61925-77-7
PubChem CID7010551
IUPAC Name(2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular FormulaC16H23NO4S
Molecular Weight325.4
XLogP3.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity373
SMILES
CC1=CC=C(C=C1)CSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-22-10-13(14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKey
CUNVVZWSABRKAL-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of N-alpha-t-Butyloxycarbonyl-S-(4-methyl-benzyl)-L-cysteine
CAS: 61925-77-7
CID: 7010551
Formula: C16H23NO4S
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass325.13477939
Monoisotopic Mass325.13477939
Topological Polar Surface Area101 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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