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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-5-methylsulfanyl-pentanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-amino-5-methylsulfanyl-pentanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[2-amino-5-(methylthio)-1-oxopentyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-5-methylsulfanylpentanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[[2-amino-5-(methylthio)pentanoyl]amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C16H23N7O5S MolecularWeight: 425.46272

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

Isomeric SMILES

CSCCCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

InChI

InChI=1S/C16H23N7O5S/c1-29-4-2-3-7(17)14(25)22-8-10(24)15(28-11(8)16(26)27)23-6-21-9-12(18)19-5-20-13(9)23/h5-8,10-11,15,24H,2-4,17H2,1H3,(H,22,25)(H,26,27)(H2,18,19,20)