[2-(Decanoylamino)-3-Hydroxy-3-Phenylpropyl] N-[2-[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methylamino]-2-Oxoethyl]Carbamate
[CAS# 149970-61-6]

Identification

• Name: [2-(Decanoylamino)-3-Hydroxy-3-Phenylpropyl] N-[2-[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methylamino]-2-Oxoethyl]Carbamate
• Synonyms: [2-(Decanoylamino)-3-Hydroxy-3-Phenyl-Propyl] N-[2-[[(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylamino]-2-Oxo-Ethyl]Carbamate; N-[2-[[(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methylamino]-2-Oxoethyl]Carbamic Acid [3-Hydroxy-2-(1-Oxodecylamino)-3-Phenylpropyl] Ester; N-[2-[[(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylamino]-2-Keto-Ethyl]Carbamic Acid [2-(Caprylamino)-3-Hydroxy-3-Phenyl-Propyl] Ester
• Molecular Formula: C₃₁H₄₅N₅O₁₀
• Molecular Weight: 647.72
• CAS Registry Number: 149970-61-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CNC(=O)CNC(OCC(NC(=O)CCCCCCCCC)C(O)C2=CC=CC=C2)=O)N3C(=O)NC(=O)C=C3
• InChI: 1S/C31H45N5O10/c1-2-3-4-5-6-7-11-14-23(37)34-21(26(40)20-12-9-8-10-13-20)19-45-31(44)33-18-25(39)32-17-22-27(41)28(42)29(46-22)36-16-15-24(38)35-30(36)43/h8-10,12-13,15-16,21-22,26-29,40-42H,2-7,11,14,17-19H2,1H3,(H,32,39)(H,33,44)(H,34,37)(H,35,38,43)/t21?,22-,26?,27-,28-,29-/m1/s1
• InChIKey: BGHIQDBPGOFVES-KPVDWXPUSA-N

Properties

• Density: 1.306g/cm³ (Cal.)