2-(5-((5-(((5-(((3-Amino-3-Iminopropyl)Amino)Carbonyl)-1-Methyl-1H-Pyrrol-3-Yl)Amino)Carbonyl)-1-Methyl-1H-Pyrrol-3-Yl)Amino)-5-Oxopentyl)-7,10,12-Trimethyl-6H-Oxazolo(4,5-g)Pyrido(4,3-B)Carbazolium Acetate Monoacetate
[CAS# 130861-48-2]

Identification

• Name: 2-(5-((5-(((5-(((3-Amino-3-Iminopropyl)Amino)Carbonyl)-1-Methyl-1H-Pyrrol-3-Yl)Amino)Carbonyl)-1-Methyl-1H-Pyrrol-3-Yl)Amino)-5-Oxopentyl)-7,10,12-Trimethyl-6H-Oxazolo(4,5-g)Pyrido(4,3-B)Carbazolium Acetate Monoacetate
• Synonyms: Net-Opc; Netropsin-Oxazolopyridocarbazole
• Molecular Formula: C₄₃H₅₂N₁₀O₈
• Molecular Weight: 836.95
• CAS Registry Number: 130861-48-2
• SMILES: C4=CC1=C(N=C(O1)CCCCC(=O)NC2=C[N](C(=C2)C(=O)NC3=C[N](C(=C3)C(=O)NCCC(=N)N)C)C)C5=C4[NH2+]C7C5=C(C6=CN(C=CC6=C7C)C)C.CC([O-])=O.CC(=O)O
• InChI: 1S/C39H44N10O4.2C2H4O2/c1-21-26-20-47(3)15-13-25(26)22(2)36-34(21)35-27(45-36)10-11-30-37(35)46-33(53-30)9-7-6-8-32(50)43-23-16-29(49(5)18-23)39(52)44-24-17-28(48(4)19-24)38(51)42-14-12-31(40)41;2*1-2(3)4/h10-11,13,15-20,36,45H,6-9,12,14H2,1-5H3,(H3,40,41)(H,42,51)(H,43,50)(H,44,52);2*1H3,(H,3,4)
• InChIKey: NPRODMHNPOUCSV-UHFFFAOYSA-N