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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(1H-pyrrol-3-yl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 5-(6-aminopurin-9-yl)-3-[[2-amino-3-(1H-pyrrol-3-yl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-1-oxo-3-(1H-pyrrol-3-yl)propyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-(6-aminopurin-9-yl)-3-[[2-amino-3-(1H-pyrrol-3-yl)propanoyl]amino]-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(1H-pyrrol-3-yl)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C17H20N8O5 MolecularWeight: 416.3913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

Isomeric SMILES

C1=CNC=C1CC(C(=O)NC2C(C(OC2C(=O)O)N3C=NC4=C3N=CN=C4N)O)N

InChI

InChI=1S/C17H20N8O5/c18-8(3-7-1-2-20-4-7)15(27)24-9-11(26)16(30-12(9)17(28)29)25-6-23-10-13(19)21-5-22-14(10)25/h1-2,4-6,8-9,11-12,16,20,26H,3,18H2,(H,24,27)(H,28,29)(H2,19,21,22)