7H-purin-6-ylsulfanylmethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: 7H-purin-6-ylsulfanylmethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: 7H-purin-6-ylsulfanylmethyl (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (7H-purin-6-ylthio)methyl ester IUPAC Name: 7H-purin-6-ylsulfanylmethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyric acid (7H-purin-6-ylthio)methyl ester Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4S/c1-9(2)10(21-15(23)25-16(3,4)5)14(22)24-8-26-13-11-12(18-6-17-11)19-7-20-13/h6-7,9-10H,8H2,1-5H3,(H,21,23)(H,17,18,19,20)/t10-/m0/s1