(2S)-2-[[[(Z)-4-(6-aminopurin-9-yl)but-2-enoxy]-oxidanyl-phosphoryl]amino]propanoic acid

Systemtic Name: (2S)-2-[[[(Z)-4-(6-aminopurin-9-yl)but-2-enoxy]-oxidanyl-phosphoryl]amino]propanoic acid Openeye Name: (2S)-2-[[[(Z)-4-(6-aminopurin-9-yl)but-2-enoxy]-hydroxy-phosphoryl]amino]propanoic acid CAS Name: (2S)-2-[[[(Z)-4-(6-aminopurin-9-yl)but-2-enoxy]-hydroxyphosphoryl]amino]propanoic acid IUPAC Name: (2S)-2-[[[(Z)-4-(6-aminopurin-9-yl)but-2-enoxy]-hydroxyphosphoryl]amino]propanoic acid Traditional Name: (2S)-2-[[[(Z)-4-adenin-9-ylbut-2-enoxy]-hydroxy-phosphoryl]amino]propionic acid Formula: C12H17N6O5P MolecularWeight: 356.274341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NP(=O)(O)OCC=CCN1C=NC2=C1N=CN=C2N

Isomeric SMILES

C[C@@H](C(=O)O)NP(=O)(O)OC/C=C\CN1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C12H17N6O5P/c1-8(12(19)20)17-24(21,22)23-5-3-2-4-18-7-16-9-10(13)14-6-15-11(9)18/h2-3,6-8H,4-5H2,1H3,(H,19,20)(H2,13,14,15)(H2,17,21,22)/b3-2-/t8-/m0/s1