N(6)-(N-(2-Aminoethyl)Carbamoyl)-NADP
[CAS# 95754-67-9]

Identification

• Name: N(6)-(N-(2-Aminoethyl)Carbamoyl)-NADP
• Synonyms: (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-5-[6-[[3-(2-Aminoethylamino)-3-Oxo-Propyl]Amino]Purin-9-Yl]-3-Hydroxy-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxymethyl]-4-Carbamoyl-4-Hydroxy-2-Pyridin-1-Ium-1-Yl-Tetrahydrofuran-3-Olate; (2R,3R
• Molecular Formula: C₂₆H₃₈N₉O₁₈P₃
• Molecular Weight: 857.56
• CAS Registry Number: 95754-67-9
• SMILES: [C@@]1(O)([C@@H]([O-])[C@@H](O[C@@H]1CO[P](OC[C@H]4O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)NCCC(=O)NCCN)[C@H](O[P](=O)(O)O)[C@@H]4O)(O[P](=O)(O)O)=O)[N+]5=CC=CC=C5)C(=O)N
• InChI: 1S/C26H38N9O18P3/c27-5-7-29-16(36)4-6-30-21-17-22(32-12-31-21)35(13-33-17)23-19(52-54(41,42)43)18(37)14(50-23)10-48-56(47,53-55(44,45)46)49-11-15-26(40,25(28)39)20(38)24(51-15)34-8-2-1-3-9-34/h1-3,8-9,12-15,18-20,23-24,37,40H,4-7,10-11,27H2,(H2,28,39)(H,2
• InChIKey: NVTXONBQSHSMAR-UTRFKAFOSA-N