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Fmoc-Arg (NO2) -OH

CAT: 0024-sc-257539Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257539Size:5 g
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CAS Number
58111-94-7

Chemical Information

Fmoc-Arg(NO2)-OH
CAS Number58111-94-7
PubChem CID12096824
IUPAC Name(2S)-5-[[amino(nitramido)methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Molecular FormulaC21H23N5O6
Molecular Weight441.4
XLogP2.4
Topological Polar Surface Area172
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity689
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C21H23N5O6/c22-20(25-26(30)31)23-11-5-10-18(19(27)28)24-21(29)32-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,24,29)(H,27,28)(H3,22,23,25)/t18-/m0/s1
InChIKey
RXMHIKWOZKQXCJ-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Arg(NO2)-OH
CAS: 58111-94-7
CID: 12096824
Formula: C21H23N5O6
MW: 441.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight441.4
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass441.16483347
Monoisotopic Mass441.16483347
Topological Polar Surface Area172 Ų
Heavy Atom Count32
Formal Charge0
Complexity689
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