Cinodine
[CAS# 52932-64-6]

Identification

• Name: Cinodine
• Synonyms: (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3As,6S,7R,7Ar)-2-Oxo-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl]Oxy]-4-Hydroxy-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-3-Guanidino-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]-N-[3-(4-Aminobutylamino)Propyl]Prop-2-Enamide Hydrochloride; (E)-3-[4-[[(2R,3R,4S,5S,6R)-5-[[[[(2S,3R,4R,5R)-5-[[(3As,6S,7R,7Ar)-2-Oxo-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl]Oxy]-4-Hydroxy-3-Ureido-2-Tetrahydropyranyl]Amino]-Oxomethyl]Amino]-3-Guanidino-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]Phenyl]-N-[3-(4-Aminobutylamino)Propyl]Prop-2-Enamide Hydrochloride; (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3As,6S,7R,7Ar)-2-Keto-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl]Oxy]-4-Hydroxy-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-3-Guanidino-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]-N-[3-(4-Aminobutylamino)Propyl]Acrylamide Hydrochloride
• Molecular Formula: C₃₇H₆₀ClN₁₃O₁₃
• Molecular Weight: 930.41
• CAS Registry Number: 52932-64-6
• SMILES: [C@H]15NC(O[C@@H]1CO[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)N)[C@H](OC2)NC(=O)N[C@H]3[C@H](O)[C@@H](N=C(N)N)[C@H](O[C@@H]3C)OC4=CC=C(C=C4)\C=C\C(=O)NCCCNCCCCN)[C@@H]5NC(=O)N)=O.[H+].[Cl-]
• InChI: 1S/C37H59N13O13.ClH/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);1H/b10-7+;/t17-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30+,31+,32-;/m1./s1
• InChIKey: ZSPJOQBEUKQIIA-KWUZUVEWSA-N