2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid

Systemtic Name: 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid Openeye Name: 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid CAS Name: 2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]propanoic acid IUPAC Name: 2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]propanoic acid Traditional Name: 2-[5-(7H-purin-6-ylthio)pentanoylamino]propionic acid Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C(=O)O)NC(=O)CCCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C13H17N5O3S/c1-8(13(20)21)18-9(19)4-2-3-5-22-12-10-11(15-6-14-10)16-7-17-12/h6-8H,2-5H2,1H3,(H,18,19)(H,20,21)(H,14,15,16,17)