O1-tert-butyl O5-(7H-purin-6-ylsulfanylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Systemtic Name: O1-tert-butyl O5-(7H-purin-6-ylsulfanylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate Openeye Name: O1-tert-butyl O5-(7H-purin-6-ylsulfanylmethyl) (2S)-2-(tert-butoxycarbonylamino)pentanedioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanedioic acid O1-tert-butyl ester O5-[(7H-purin-6-ylthio)methyl] ester IUPAC Name: 1-O-tert-butyl 5-O-(7H-purin-6-ylsulfanylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)glutaric acid O1-tert-butyl ester O5-[(7H-purin-6-ylthio)methyl] ester Formula: C20H29N5O6S MolecularWeight: 467.53916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)OCSC1=NC=NC2=C1NC=N2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC(=O)OCSC1=NC=NC2=C1NC=N2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N5O6S/c1-19(2,3)30-17(27)12(25-18(28)31-20(4,5)6)7-8-13(26)29-11-32-16-14-15(22-9-21-14)23-10-24-16/h9-10,12H,7-8,11H2,1-6H3,(H,25,28)(H,21,22,23,24)/t12-/m0/s1