chempirical

N5-[Imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine

C14H19N5O6CAS 2304-98-5353.34 g/mol

Open in Covalent MOL file
HNHNNHOOOOHNHN+OO−
Carboxylic acidGuanidineNitro

Properties

Molecular formula
C14H19N5O6
Molar mass
353.34 g/mol
Exact mass
353.1335 Da
Melting point
132–134 °C
logP
0.66Crippen estimate
Polar surface area
170.2 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
9
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
2304-98-5
SMILES
N=C(NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O)N[N+](=O)[O-]
InChIKey
BZPCSFNCKORLQG-NSHDSACASA-N
InChI
InChI=1S/C14H19N5O6/c15-13(18-19(23)24)16-8-4-7-11(12(20)21)17-14(22)25-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,22)(H,20,21)(H3,15,16,18)/t11-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • L-Ornithine, N5-[imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-
  • Ornithine, N2-carboxy-N5-(nitroamidino)-, N2-benzyl ester, L-
  • N2-Carbobenzoxy-Nω-nitro-L-arginine
  • Nα-(Benzyloxycarbonyl)-Nω-nitroarginine
  • Nα-Benzyloxycarbonyl-Nω-nitro-L-arginine
  • N2-Benzyloxycarbonyl-NG-nitroarginine
  • Benzyloxycarbonylnitro-L-arginine
  • N2-Benzyloxycarbonyl-NG-nitro-L-arginine
  • Nα-Benzyloxycarbonyl-NG-nitroarginine

Work with N5-[Imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyloxycarbonyl-L-arginine1234-35-168 % similar N-Benzyloxycarbonyl-D-arginine6382-93-068 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-366 % similar L-Arginine, N2-[(phenylmethoxy)carbonyl]-, hydrochloride (1:1)56672-63-065 % similar N-α-Benzyloxycarbonyl-L-lysine2212-75-157 % similar N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-857 % similar N2,N6-Bis[(phenylmethoxy)carbonyl]-L-lysine405-39-057 % similar N-[(Phenylmethoxy)carbonyl]norvaline21691-43-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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