Cinodine I
[CAS# 60830-76-4]

Identification

• Name: Cinodine I
• Synonyms: (Z)-N-[3-(4-Aminobutylamino)Propyl]-3-[4-[3-Guanidino-4-Hydroxy-5-[[4-Hydroxy-5-[(2-Oxo-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl)Oxy]-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]Prop-2-Enamide; (Z)-N-[3-(4-Aminobutylamino)Propyl]-3-[4-[[3-Guanidino-4-Hydroxy-5-[[[[4-Hydroxy-5-[(2-Oxo-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl)Oxy]-3-Ureido-2-Tetrahydropyranyl]Amino]-Oxomethyl]Amino]-6-Methyl-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-Enamide; (Z)-N-[3-(4-Aminobutylamino)Propyl]-3-[4-[3-Guanidino-4-Hydroxy-5-[[4-Hydroxy-5-[(2-Keto-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl)Oxy]-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]Acrylamide
• Molecular Formula: C₃₇H₅₉N₁₃O₁₃
• Molecular Weight: 893.95
• CAS Registry Number: 60830-76-4
• SMILES: C5=C(OC4OC(C(NC(=O)NC3OCC(OC2OCC1OC(=O)NC1C2NC(=O)N)C(O)C3NC(=O)N)C(O)C4N=C(N)N)C)C=CC(=C5)\C=C/C(=O)NCCCNCCCCN
• InChI: 1S/C37H59N13O13/c1-17-23(29(53)27(45-33(39)40)32(60-17)61-19-8-5-18(6-9-19)7-10-22(51)44-14-4-13-43-12-3-2-11-38)48-36(56)50-30-26(47-35(42)55)28(52)21(16-58-30)62-31-25(46-34(41)54)24-20(15-59-31)63-37(57)49-24/h5-10,17,20-21,23-32,43,52-53H,2-4,11-16,38H2,1H3,(H,44,51)(H,49,57)(H4,39,40,45)(H3,41,46,54)(H3,42,47,55)(H2,48,50,56)/b10-7-
• InChIKey: JFKMOESWBQOEER-YFHOEESVSA-N

Properties

• Density: 1.707g/cm³ (Cal.)