ethyl 2-[2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]ethyl]amino]ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetyl]amino]acetate Traditional Name: 2-[[2-[[2-[5-(7H-purin-6-ylthio)pentanoylamino]acetyl]amino]acetyl]amino]acetic acid ethyl ester Formula: C18H25N7O5S MolecularWeight: 451.5

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C18H25N7O5S/c1-2-30-15(29)9-21-14(28)8-20-13(27)7-19-12(26)5-3-4-6-31-18-16-17(23-10-22-16)24-11-25-18/h10-11H,2-9H2,1H3,(H,19,26)(H,20,27)(H,21,28)(H,22,23,24,25)