N-Cyclohexylcyclohexanaminium (2S,3S)-3-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}pentanoate
[CAS# 7675-49-2]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Isoleucine derivative
• Name: N-Cyclohexylcyclohexanaminium (2S,3S)-3-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}pentanoate
• Synonyms: N-2-Nitrophenylsulfenyl-L-isoleucine Dicyclohexylammonium Salt
• Molecular Formula: C₂₄H₃₉N₃O₄S
• Molecular Weight: 465.65
• CAS Registry Number: 7675-49-2
• SMILES: CC[C@H](C)[C@@H](C(=O)[O-])NSc1ccccc1[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2
• InChI: 1S/C12H16N2O4S.C12H23N/c1-3-8(2)11(12(15)16)13-19-10-7-5-4-6-9(10)14(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,11,13H,3H2,1-2H3,(H,15,16);11-13H,1-10H2/t8-,11-;/m0./s1
• InChIKey: IBYYSIWLIRUKII-RWHJDYSMSA-N

Properties

• Melting point: 190°C (Expl.)