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

Systemtic Name: 3-[[3-(acetamidomethylsulfanyl)-2-azanyl-propanoyl]amino]-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[[3-(acetamidomethylsulfanyl)-2-amino-propanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[[3-(acetamidomethylthio)-2-amino-1-oxopropyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[[3-(acetamidomethylsulfanyl)-2-aminopropanoyl]amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 3-[[3-(acetamidomethylthio)-2-amino-propanoyl]amino]-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C16H22N8O6S MolecularWeight: 454.46088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N8O6S/c1-6(25)22-5-31-2-7(17)14(27)23-8-10(26)15(30-11(8)16(28)29)24-4-21-9-12(18)19-3-20-13(9)24/h3-4,7-8,10-11,15,26H,2,5,17H2,1H3,(H,22,25)(H,23,27)(H,28,29)(H2,18,19,20)