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Fmoc-D-β-HoCys (Ph) -OH

CAT: 0127-OR1102483-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1102483-01Size:100 mg
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CAS Number
1244724-97-7
MDL Number
MFCD18070978
Purity
90%
Smiles
O=C (O) C[C@@H] (NC (OCC1C2=CC=CC=C2C3=CC=CC=C13) =O) CSC4=CC=CC=C4

Chemical Information

(R)-N-Fmoc-3-amino-4-(phenylthio)butanoic acid
CAS Number1244724-97-7
PubChem CID68453532
IUPAC Name(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylsulfanylbutanoic acid
Molecular FormulaC25H23NO4S
Molecular Weight433.5
XLogP4.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
C1=CC=C(C=C1)SC[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO4S/c27-24(28)14-17(16-31-18-8-2-1-3-9-18)26-25(29)30-15-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,17,23H,14-16H2,(H,26,29)(H,27,28)/t17-/m1/s1
InChIKey
ZXVKPJJQNJPHQT-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-Fmoc-3-amino-4-(phenylthio)butanoic acid
CAS: 1244724-97-7
CID: 68453532
Formula: C25H23NO4S
MW: 433.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass433.13477939
Monoisotopic Mass433.13477939
Topological Polar Surface Area101 Ų
Heavy Atom Count31
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 Count1
Compound Is CanonicalizedYes

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