3,6-Diamino-N-[(6Z)-3-(2-Amino-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]Hexanamide
[CAS# 33137-73-4]

Identification

• Name: 3,6-Diamino-N-[(6Z)-3-(2-Amino-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]Hexanamide
• Synonyms: 3,6-Diamino-N-[(6Z)-3-(2-Amino-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]Hexanamide; 3,6-Diamino-N-[(6Z)-3-(2-Amino-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]Hexanamide; 3,6-Diamino-N-[(6Z)-6-[(Aminocarbonylamino)Methylidene]-3-(2-Amino-3,4,5,6-Tetrahydropyrimidin-4-Yl)-9,12-Bis(Hydroxymethyl)-2,5,8,11,14-Pentaoxo-1,4,7,10,13-Pentazacyclohexadec-15-Yl]Hexanamide
• Molecular Formula: C₂₅H₄₃N₁₃O₉
• Molecular Weight: 669.70
• CAS Registry Number: 33137-73-4
• SMILES: C(O)C1NC(=O)C(NC(=O)C(NC(=O)CC(N)CCCN)CNC(=O)C(NC(=O)\C(NC1=O)=C\NC(=O)N)C2NC(=NCC2)N)CO
• InChI: 1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8-
• InChIKey: IJLXXTHFOUHWGE-ZSOIEALJSA-N

Properties

• Density: 1.754g/cm³ (Cal.)