2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanoic acid

Systemtic Name: 2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanoic acid Openeye Name: 2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanoic acid CAS Name: 2-[[1-oxo-3-(7H-purin-6-ylthio)propyl]amino]propanoic acid IUPAC Name: 2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanoic acid Traditional Name: 2-[3-(7H-purin-6-ylthio)propanoylamino]propionic acid Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C(=O)O)NC(=O)CCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C11H13N5O3S/c1-6(11(18)19)16-7(17)2-3-20-10-8-9(13-4-12-8)14-5-15-10/h4-6H,2-3H2,1H3,(H,16,17)(H,18,19)(H,12,13,14,15)