O1-ethyl O4-(7H-purin-6-ylsulfanylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

Systemtic Name: O1-ethyl O4-(7H-purin-6-ylsulfanylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Openeye Name: O1-ethyl O4-(7H-purin-6-ylsulfanylmethyl) (2S)-2-(tert-butoxycarbonylamino)butanedioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanedioic acid O1-ethyl ester O4-[(7H-purin-6-ylthio)methyl] ester IUPAC Name: 1-O-ethyl 4-O-(7H-purin-6-ylsulfanylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)succinic acid O1-ethyl ester O4-[(7H-purin-6-ylthio)methyl] ester Formula: C17H23N5O6S MolecularWeight: 425.45942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O6S/c1-5-26-15(24)10(22-16(25)28-17(2,3)4)6-11(23)27-9-29-14-12-13(19-7-18-12)20-8-21-14/h7-8,10H,5-6,9H2,1-4H3,(H,22,25)(H,18,19,20,21)/t10-/m0/s1