N-Methyl-Valyl-Amiclenomycin
[CAS# 96717-69-0]

Identification

• Name: N-Methyl-Valyl-Amiclenomycin
• Synonyms: (6S)-6-Amino-8-(4-Amino-1-Cyclohexa-2,5-Dienyl)-7-Methyl-6-Methylamino-5-Oxo-Octanoic Acid; (6S)-6-Amino-8-(4-Amino-1-Cyclohexa-2,5-Dienyl)-5-Keto-7-Methyl-6-Methylamino-Caprylic Acid; Butanoic Acid, L-2-Amino-4-(4-Amino-2,5-Cyclohexadien-1-Yl)-N-Methyl-L-V
• Molecular Formula: C₁₆H₂₇N₃O₃
• Molecular Weight: 309.41
• CAS Registry Number: 96717-69-0
• SMILES: [C@@](NC)(N)(C(CC1C=CC(N)C=C1)C)C(=O)CCCC(=O)O
• InChI: 1S/C16H27N3O3/c1-11(10-12-6-8-13(17)9-7-12)16(18,19-2)14(20)4-3-5-15(21)22/h6-9,11-13,19H,3-5,10,17-18H2,1-2H3,(H,21,22)/t11?,12?,13?,16-/m0/s1
• InChIKey: IYJXSJJCXYNKBU-NPQGJGQUSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 486.737°C at 760 mmHg (Cal.)
• Flash point: 248.17°C (Cal.)