N-[(6E)-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]Hexadecanamide
[CAS# 74240-44-1]

Identification

• Name: N-[(6E)-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]Hexadecanamide
• Synonyms: N-[(6E)-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]Hexadecanamide; N-[(6E)-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]Hexadecanamide; N-[(6E)-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]Palmitamide
• Molecular Formula: C₃₅H₆₁N₁₁O₉
• Molecular Weight: 779.94
• CAS Registry Number: 74240-44-1
• SMILES: C(C1C(NC(C(NC(/C(NC(C(NCC(C(N1)=O)NC(=O)CCCCCCCCCCCCCCC)=O)C2NC(=NCC2)N)=O)=C/NC(N)=O)=O)CO)=O)O
• InChI: 1S/C35H61N11O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(49)41-23-18-39-33(54)28(22-16-17-38-34(36)45-22)46-30(51)24(19-40-35(37)55)42-31(52)25(20-47)44-32(53)26(21-48)43-29(23)50/h19,22-23,25-26,28,47-48H,2-18,20-21H2,1H3,(H,39,54)(H,41,49)(H,42,52)(H,43,50)(H,44,53)(H,46,51)(H3,36,38,45)(H3,37,40,55)/b24-19+
• InChIKey: BOUNXJOSVRWQIH-LYBHJNIJSA-N

Properties

• Density: 1.424g/cm³ (Cal.)