N-acetyl-L-arginine methyl ester hydrochloride | SBID = 1531 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 13
PubChem TPSA/Å2: 120.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3:
Sum Formula: C9H19ClN4O3
M / g/mol: 266.72
Complexity: 274.0
Number of Conformers: 0.0

Identifiers

  • Tags: amino acid, typical guest
  • Name: N-acetyl-L-arginine methyl ester hydrochloride
  • Preferred Abbreviation: Ac-Arg-OMe
  • IUPAC Name: methyl (2S)-2-acetamido-5-(diaminomethylideneamino)pentanoate;hydrochloride
  • CAS:
  • CID: 71627142
  • InChiKey: FIUSXBMWQFBXLZ-FJXQXJEOSA-N
  • InChi: InChI=1S/C9H18N4O3.ClH/c1-6(14)13-7(8(15)16-2)4-3-5-12-9(10)11;/h7H,3-5H2,1-2H3,(H,13,14)(H4,10,11,12);1H/t7-;/m0./s1
  • CanoSmiles: CC(=O)NC(CCCN=C(N)N)C(=O)OC.Cl
  • IsoSmiles: CC(=O)N[C@@H](CCCN=C(N)N)C(=O)OC.Cl