4-[N-Methyl-4-(Methylamino)-L-Phenylalanine]Virginiamycin S1
[CAS# 57206-54-9]

Identification

• Name: 4-[N-Methyl-4-(Methylamino)-L-Phenylalanine]Virginiamycin S1
• Synonyms: 4-[N-Methyl-4-(Methylamino)-L-Phenylalanine]Virginiamycin S1; C11616; Pristinamycin Ib
• Molecular Formula: C₄₄H₅₂N₈O₁₀
• Molecular Weight: 852.94
• CAS Registry Number: 57206-54-9
• SMILES: C1=CC(=CC=C1CC4C(N6C(C(NC(C2=CC=CC=C2)C(OC(C(NC(C3=NC=CC=C3O)=O)C(=O)NC(C(N5C(C(N4C)=O)CCC5)=O)CC)C)=O)=O)CC(=O)CC6)=O)NC
• InChI: 1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)
• InChIKey: PCOXSOQWQVRJCH-UHFFFAOYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 1213.627°C at 760 mmHg (Cal.)
• Flash point: 687.777°C (Cal.)