5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C16H19N9O5 MolecularWeight: 417.37936

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C16H19N9O5/c17-7(1-6-2-19-3-20-6)14(27)24-8-10(26)15(30-11(8)16(28)29)25-5-23-9-12(18)21-4-22-13(9)25/h2-5,7-8,10-11,15,26H,1,17H2,(H,19,20)(H,24,27)(H,28,29)(H2,18,21,22)