(E)-N-(3-Amino-3-Iminopropyl)-3-[4-[5-[[3-(Carbamoylamino)-5-[[7-(Carbamoylamino)-2-Oxo-1,3A,5,6,7,7alpha-Hexahydropyrano[5,6-d][1,3]Oxazol-6-Yl]Oxy]-4-Hydroxyoxan-2-Yl]Carbamoylamino]-3-(Diaminomethylideneamino)-4-Hydroxy-6-Methyloxan-2-Yl]Oxyphenyl]Prop-2-Enamide
[CAS# 121634-34-2]

Identification

• Name: (E)-N-(3-Amino-3-Iminopropyl)-3-[4-[5-[[3-(Carbamoylamino)-5-[[7-(Carbamoylamino)-2-Oxo-1,3A,5,6,7,7alpha-Hexahydropyrano[5,6-d][1,3]Oxazol-6-Yl]Oxy]-4-Hydroxyoxan-2-Yl]Carbamoylamino]-3-(Diaminomethylideneamino)-4-Hydroxy-6-Methyloxan-2-Yl]Oxyphenyl]Prop-2-Enamide
• Synonyms: (E)-N-(3-Amino-3-Imino-Propyl)-3-[4-[3-Guanidino-4-Hydroxy-5-[[4-Hydroxy-5-[(2-Oxo-7-Ureido-1,3A,5,6,7,7A-Hexahydropyrano[5,6-D]Oxazol-6-Yl)Oxy]-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]Prop-2-Enamide; (E)-N-(3-Amino-3-Iminopropyl)-3-[4-[[3-Guanidino-4-Hydroxy-5-[[[[4-Hydroxy-5-[(2-Oxo-7-Ureido-1,3A,5,6,7,7A-Hexahydropyrano[5,6-D]Oxazol-6-Yl)Oxy]-3-Ureido-2-Tetrahydropyranyl]Amino]-Oxomethyl]Amino]-6-Methyl-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-Enamide; (E)-N-(3-Amino-3-Imino-Propyl)-3-[4-[3-Guanidino-4-Hydroxy-5-[[4-Hydroxy-5-[(2-Keto-7-Ureido-1,3A,5,6,7,7A-Hexahydropyrano[5,6-D]Oxazol-6-Yl)Oxy]-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]Acrylamide
• Molecular Formula: C₃₃H₄₉N₁₃O₁₃
• Molecular Weight: 835.83
• CAS Registry Number: 121634-34-2
• SMILES: C5=C(OC4OC(C(NC(=O)NC3OCC(OC2C(NC(=O)N)C1NC(OC1OC2)=O)C(O)C3NC(=O)N)C(O)C4N=C(N)N)C)C=CC(=C5)\C=C\C(=O)NCCC(N)=N
• InChI: 1S/C33H49N13O13/c1-12-19(25(49)23(41-29(36)37)28(56-12)57-14-5-2-13(3-6-14)4-7-18(47)40-9-8-17(34)35)44-32(52)46-26-22(43-31(39)51)24(48)16(11-54-26)58-15-10-55-27-21(45-33(53)59-27)20(15)42-30(38)50/h2-7,12,15-16,19-28,48-49H,8-11H2,1H3,(H3,34,35)(H,40,47)(H,45,53)(H4,36,37,41)(H3,38,42,50)(H3,39,43,51)(H2,44,46,52)/b7-4+
• InChIKey: FGHLWFFZPCITSU-QPJJXVBHSA-N

Properties

• Density: 1.851g/cm³ (Cal.)