O1-tert-butyl O4-(7H-purin-6-ylsulfanylmethyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

Systemtic Name: O1-tert-butyl O4-(7H-purin-6-ylsulfanylmethyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Openeye Name: O1-tert-butyl O4-(7H-purin-6-ylsulfanylmethyl) (2R)-2-(tert-butoxycarbonylamino)butanedioate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanedioic acid O1-tert-butyl ester O4-[(7H-purin-6-ylthio)methyl] ester IUPAC Name: 1-O-tert-butyl 4-O-(7H-purin-6-ylsulfanylmethyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)succinic acid O1-tert-butyl ester O4-[(7H-purin-6-ylthio)methyl] ester Formula: C19H27N5O6S MolecularWeight: 453.51258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O6S/c1-18(2,3)29-16(26)11(24-17(27)30-19(4,5)6)7-12(25)28-10-31-15-13-14(21-8-20-13)22-9-23-15/h8-9,11H,7,10H2,1-6H3,(H,24,27)(H,20,21,22,23)/t11-/m1/s1