ethyl 4-methyl-2-[2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoylamino]pentanoate

Systemtic Name: ethyl 4-methyl-2-[2-[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]ethanoylamino]ethanoylamino]pentanoate Openeye Name: ethyl 4-methyl-2-[[2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetyl]amino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-[[1-oxo-2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]ethyl]amino]ethyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-[[2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]acetyl]amino]acetyl]amino]pentanoate Traditional Name: 4-methyl-2-[[2-[[2-[5-(7H-purin-6-ylthio)pentanoylamino]acetyl]amino]acetyl]amino]valeric acid ethyl ester Formula: C22H33N7O5S MolecularWeight: 507.60632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N7O5S/c1-4-34-22(33)15(9-14(2)3)29-18(32)11-24-17(31)10-23-16(30)7-5-6-8-35-21-19-20(26-12-25-19)27-13-28-21/h12-15H,4-11H2,1-3H3,(H,23,30)(H,24,31)(H,29,32)(H,25,26,27,28)