2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]propanoic acid

Systemtic Name: 2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]propanoic acid Openeye Name: 2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]propanoic acid CAS Name: 2-[[3-(4,6-dihydro-1H-purin-6-ylthio)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(4,6-dihydro-1H-purin-6-ylsulfanyl)propanoylamino]propanoic acid Traditional Name: 2-[3-(4,6-dihydro-1H-purin-6-ylthio)propanoylamino]propionic acid Formula: C11H15N5O3S MolecularWeight: 297.3335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCSC1C2=NC=NC2N=CN1

Isomeric SMILES

CC(C(=O)O)NC(=O)CCSC1C2=NC=NC2N=CN1

InChI

InChI=1S/C11H15N5O3S/c1-6(11(18)19)16-7(17)2-3-20-10-8-9(13-4-12-8)14-5-15-10/h4-6,9-10H,2-3H2,1H3,(H,14,15)(H,16,17)(H,18,19)