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Fmoc-Cys (NPys) -OH

CAT: 0926-FF111428-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FF111428-01Size:250 mg
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CAS Number
159700-51-3
MDL Number
MFCD00065638
Smiles
C1=CC=C2C (=C1) C (C3=CC=CC=C32) COC (=O) N[C@@H] (CSSC4=C (C=CC=N4) [N+] (=O) [O-]) C (=O) O
Molecular Formula
C23H19N3O6S2
Molecular Weight
497.55 g/mol
Controlled
No

Chemical Information

Fmoc-Cys(npys)-OH
CAS Number159700-51-3
PubChem CID56776990
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3-nitro-2-pyridinyl)disulfanyl]propanoic acid
Molecular FormulaC23H19N3O6S2
Molecular Weight497.5
XLogP4
Topological Polar Surface Area185
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity716
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CSSC4=C(C=CC=N4)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C23H19N3O6S2/c27-22(28)19(13-33-34-21-20(26(30)31)10-5-11-24-21)25-23(29)32-12-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-11,18-19H,12-13H2,(H,25,29)(H,27,28)/t19-/m0/s1
InChIKey
POIHHIXLTDNIII-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Cys(npys)-OH
CAS: 159700-51-3
CID: 56776990
Formula: C23H19N3O6S2
MW: 497.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass497.07152768
Monoisotopic Mass497.07152768
Topological Polar Surface Area185 Ų
Heavy Atom Count34
Formal Charge0
Complexity716
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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4016999.0001Fmoc-Cys (NPys) -OH
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