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Boc-Arg (NO2) -OH 100g

CAT: 0628-A23350-100000Size: 100000 mgDry Ice: NoHazardous: No
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CAT#:0628-A23350-100000Size:100000 mg
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CAS Number
2188-18-3

Chemical Information

L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-
CAS Number2188-18-3
PubChem CID75141
IUPAC Name(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular FormulaC11H21N5O6
Molecular Weight319.31
XLogP0.3
Topological Polar Surface Area172
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity439
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1
InChIKey
OZSSOVRIEPAIMP-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of L-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-
CAS: 2188-18-3
CID: 75141
Formula: C11H21N5O6
MW: 319.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.31
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass319.14918341
Monoisotopic Mass319.14918341
Topological Polar Surface Area172 Ų
Heavy Atom Count22
Formal Charge0
Complexity439
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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