(2S)-2-azanyl-4-[[[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid

Systemtic Name: (2S)-2-azanyl-4-[[[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid Openeye Name: (2S)-2-amino-4-[[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid CAS Name: (2S)-2-amino-4-[[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]methylthio]butanoic acid IUPAC Name: (2S)-2-amino-4-[[[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylsulfanyl]butanoic acid Traditional Name: (2S)-2-amino-4-[[[9-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]methylthio]butyric acid Formula: C15H22N6O5S MolecularWeight: 398.43738

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3NCSCCC(C(=O)O)N)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NCSCC[C@@H](C(=O)O)N)CO)O

InChI

InChI=1S/C15H22N6O5S/c16-8(15(24)25)1-2-27-7-20-13-12-14(18-5-17-13)21(6-19-12)11-3-9(23)10(4-22)26-11/h5-6,8-11,22-23H,1-4,7,16H2,(H,24,25)(H,17,18,20)/t8-,9-,10+,11+/m0/s1