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Boc-L-beta-HMet-OH

CAT: 0024-sc-293807ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-293807ASize:5 g
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CAS Number
244251-20-5

Chemical Information

(3R)-3-{[(tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid
CAS Number244251-20-5
PubChem CID16211045
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoic acid
Molecular FormulaC11H21NO4S
Molecular Weight263.36
XLogP1.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count17
Formal Charge0
Complexity263
SMILES
CC(C)(C)OC(=O)N[C@@H](CCSC)CC(=O)O
InChI
InChI=1S/C11H21NO4S/c1-11(2,3)16-10(15)12-8(5-6-17-4)7-9(13)14/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
HBFKPNZCUUZRLA-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of (3R)-3-{[(tert-butoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid
CAS: 244251-20-5
CID: 16211045
Formula: C11H21NO4S
MW: 263.36
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.36
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass263.11912932
Monoisotopic Mass263.11912932
Topological Polar Surface Area101 Ų
Heavy Atom Count17
Formal Charge0
Complexity263
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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