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Boc-D-Cys (NPys) -OH

CAT: 0121-4019702.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4019702.0001Size:1 g
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CAS Number
200350-73-8
Specifications
A-3470.0001
Sequence
Boc-D-Cys (NPys) -OH
Molecular Formula
C₁₃H₁₇N₃O₆S₂
Molecular Weight
375.43
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

(S)-2-((tert-Butoxycarbonyl)amino)-3-((3-nitropyridin-2-yl)disulfanyl)propanoic acid
CAS Number200350-73-8
PubChem CID26300462
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3-nitro-2-pyridinyl)disulfanyl]propanoic acid
Molecular FormulaC13H17N3O6S2
Molecular Weight375.4
XLogP1.9
Topological Polar Surface Area185
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity466
SMILES
CC(C)(C)OC(=O)N[C@H](CSSC1=C(C=CC=N1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C13H17N3O6S2/c1-13(2,3)22-12(19)15-8(11(17)18)7-23-24-10-9(16(20)21)5-4-6-14-10/h4-6,8H,7H2,1-3H3,(H,15,19)(H,17,18)/t8-/m1/s1
InChIKey
OVTLOLNDKQUMRH-MRVPVSSYSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((tert-Butoxycarbonyl)amino)-3-((3-nitropyridin-2-yl)disulfanyl)propanoic acid
CAS: 200350-73-8
CID: 26300462
Formula: C13H17N3O6S2
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass375.05587762
Monoisotopic Mass375.05587762
Topological Polar Surface Area185 Ų
Heavy Atom Count24
Formal Charge0
Complexity466
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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Alternative Products

CatalogName
5-05704Boc-D-Cys(Npys)-OH
FB111249-01Boc-D-Cys (NPys) -OH
sc-234134Boc-Cys (Npys) -OH
MBS3847966-01Boc-Cys(Npys)-OH
A23386-100Boc-Cys (Npys) -OH 100mg
A23386-1000Boc-Cys (Npys) -OH 1g
A23386-50Boc-Cys (Npys) -OH 50mg
A23386-250Boc-Cys (Npys) -OH 250mg
TP3390-01Cys (Npys) - (D-Arg) 9
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