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Home > Nitro Compounds > 2188-18-3

2188-18-3

2188-18-3 | N-Boc-N'-nitro-L-arginine

CAS No: 2188-18-3 Catalog No: AG0038VM MDL No:MFCD00065556

Product Description

Catalog Number:
AG0038VM
Chemical Name:
N-Boc-N'-nitro-L-arginine
CAS Number:
2188-18-3
Molecular Formula:
C11H21N5O6
Molecular Weight:
319.3143
MDL Number:
MFCD00065556
IUPAC Name:
(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
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
InChI Key:
OZSSOVRIEPAIMP-ZETCQYMHSA-N
SMILES:
N=C(N[N+](=O)[O-])NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
EC Number:
218-580-0

Properties

Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
319.149g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
319.318g/mol
Monoisotopic Mass:
319.149g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

Literature

Title Journal
A short synthesis of argatroban. a potent selective thrombin inhibitor. Bioorganic & medicinal chemistry letters 20010806

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