2-acetamido-5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoic acid

Systemtic Name: 2-acetamido-5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoic acid Openeye Name: 2-acetamido-5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoic acid CAS Name: 2-acetamido-5-(4,6-dihydro-1H-purin-6-ylthio)pentanoic acid IUPAC Name: 2-acetamido-5-(4,6-dihydro-1H-purin-6-ylsulfanyl)pentanoic acid Traditional Name: 2-acetamido-5-(4,6-dihydro-1H-purin-6-ylthio)valeric acid Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCSC1C2=NC=NC2N=CN1)C(=O)O

Isomeric SMILES

CC(=O)NC(CCCSC1C2=NC=NC2N=CN1)C(=O)O

InChI

InChI=1S/C12H17N5O3S/c1-7(18)17-8(12(19)20)3-2-4-21-11-9-10(14-5-13-9)15-6-16-11/h5-6,8,10-11H,2-4H2,1H3,(H,15,16)(H,17,18)(H,19,20)