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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[[2-azanyl-3-(carboxymethylsulfanyl)propanoyl]amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[2-amino-3-(carboxymethylsulfanyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-3-(carboxymethylthio)-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[2-amino-3-(carboxymethylsulfanyl)propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-3-(carboxymethylthio)propanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C15H19N7O7S MolecularWeight: 441.41906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)O)NC(=O)C(CSCC(=O)O)N)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(=O)O)NC(=O)C(CSCC(=O)O)N)O

InChI

InChI=1S/C15H19N7O7S/c16-5(1-30-2-6(23)24)13(26)21-7-9(25)14(29-10(7)15(27)28)22-4-20-8-11(17)18-3-19-12(8)22/h3-5,7,9-10,14,25H,1-2,16H2,(H,21,26)(H,23,24)(H,27,28)(H2,17,18,19)