Home Nitros Nalpha-Boc-Ndelta-2,4-dinitrophenyl-L-ornithine

Nalpha-Boc-Ndelta-2,4-dinitrophenyl-L-ornithine

CAS No.:
82518-61-4
Catalog Number:
AG004UII
Molecular Formula:
C16H22N4O8
Molecular Weight:
398.3679
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG004UII
Chemical Name:
Nalpha-Boc-Ndelta-2,4-dinitrophenyl-L-ornithine
CAS Number:
82518-61-4
Molecular Formula:
C16H22N4O8
Molecular Weight:
398.3679
MDL Number:
MFCD02259476
IUPAC Name:
(2S)-5-(2,4-dinitroanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C16H22N4O8/c1-16(2,3)28-15(23)18-12(14(21)22)5-4-8-17-11-7-6-10(19(24)25)9-13(11)20(26)27/h6-7,9,12,17H,4-5,8H2,1-3H3,(H,18,23)(H,21,22)/t12-/m0/s1
InChI Key:
PXVAXTMGYWSFHF-LBPRGKRZSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
581  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
398.144g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
398.372g/mol
Monoisotopic Mass:
398.144g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties