3,6-Diamino-N-[(6E)-3-(2-Amino-6-Hydroxy-3,4,5,6-Tetrahydropyrimidin-4-Yl)-6-[(Carbamoylamino)Methylidene]-9,12-Bis(Hydroxymethyl)-2,5,8,11,14-Pentaoxo-1,4,7,10,13-Pentazacyclohexadec-15-Yl]-4-Hydroxyhexanamide
[CAS# 33103-21-8]

Identification

• Name: 3,6-Diamino-N-[(6E)-3-(2-Amino-6-Hydroxy-3,4,5,6-Tetrahydropyrimidin-4-Yl)-6-[(Carbamoylamino)Methylidene]-9,12-Bis(Hydroxymethyl)-2,5,8,11,14-Pentaoxo-1,4,7,10,13-Pentazacyclohexadec-15-Yl]-4-Hydroxyhexanamide
• Synonyms: 3,6-Diamino-N-[(6E)-3-(2-Amino-6-Hydroxy-3,4,5,6-Tetrahydropyrimidin-4-Yl)-9,12-Bis(Hydroxymethyl)-2,5,8,11,14-Pentaoxo-6-(Ureidomethylene)-1,4,7,10,13-Pentazacyclohexadec-15-Yl]-4-Hydroxy-Hexanamide; 3,6-Diamino-N-[(6E)-3-(2-Amino-6-Hydroxy-3,4,5,6-Tetrahydropyrimidin-4-Yl)-9,12-Bis(Hydroxymethyl)-2,5,8,11,14-Pentaoxo-6-(Ureidomethylene)-1,4,7,10,13-Pentazacyclohexadec-15-Yl]-4-Hydroxyhexanamide; 3,6-Diamino-N-[(6E)-3-(2-Amino-6-Hydroxy-3,4,5,6-Tetrahydropyrimidin-4-Yl)-2,5,8,11,14-Pentaketo-9,12-Dimethylol-6-(Ureidomethylene)-1,4,7,10,13-Pentazacyclohexadec-15-Yl]-4-Hydroxy-Hexanamide
• Molecular Formula: C₂₅H₄₃N₁₃O₁₁
• Molecular Weight: 701.70
• CAS Registry Number: 33103-21-8
• SMILES: C(O)C1NC(=O)C(NC(=O)C(NC(=O)CC(N)C(O)CCN)CNC(=O)C(NC(=O)\C(NC1=O)=C/NC(=O)N)C2NC(=NC(O)C2)N)CO
• InChI: 1S/C25H43N13O11/c26-2-1-15(41)9(27)3-16(42)32-11-5-30-23(48)18(10-4-17(43)37-24(28)36-10)38-20(45)12(6-31-25(29)49)33-21(46)13(7-39)35-22(47)14(8-40)34-19(11)44/h6,9-11,13-15,17-18,39-41,43H,1-5,7-8,26-27H2,(H,30,48)(H,32,42)(H,33,46)(H,34,44)(H,35,47)(H,38,45)(H3,28,36,37)(H3,29,31,49)/b12-6+
• InChIKey: JCTPGOAHEVLZAB-WUXMJOGZSA-N

Properties

• Density: 1.865g/cm³ (Cal.)