N⁵-[(Methylsulfanyl)carbonoimidoyl]-L-ornithine acetate (1:1)
[CAS# 174063-92-4]

Identification

• Name: N⁵-[(Methylsulfanyl)carbonoimidoyl]-L-ornithine acetate (1:1)
• Synonyms: N5-[Imino(methylthio)methyl]-L-ornithine acetate; S-Methyl-L-thiocitrulline acetate; S-Methyl-L-thiocitrulline acetate salt
• Molecular Formula: C₉H₁₉N₃O₄S
• Molecular Weight: 265.33
• CAS Registry Number: 174063-92-4
• SMILES: CC(=O)O.CSC(=N)NCCC[C@@H](C(=O)O)N
• InChI: 1S/C7H15N3O2S.C2H4O2/c1-13-7(9)10-4-2-3-5(8)6(11)12;1-2(3)4/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12);1H3,(H,3,4)/t5-;/m0./s1
• InChIKey: XUKPZPRDNPUAJY-JEDNCBNOSA-N

Properties

• Refractive index: (Cal.)