cyclopentyl (2S)-2-azanyl-3-[4-[6-azanyl-8-(1,3-benzodioxol-5-ylsulfanyl)purin-9-yl]phenyl]propanoate

Systemtic Name: cyclopentyl (2S)-2-azanyl-3-[4-[6-azanyl-8-(1,3-benzodioxol-5-ylsulfanyl)purin-9-yl]phenyl]propanoate Openeye Name: cyclopentyl (2S)-2-amino-3-[4-[6-amino-8-(1,3-benzodioxol-5-ylsulfanyl)purin-9-yl]phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-[6-amino-8-(1,3-benzodioxol-5-ylthio)-9-purinyl]phenyl]propanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-amino-3-[4-[6-amino-8-(1,3-benzodioxol-5-ylsulfanyl)purin-9-yl]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[4-[6-amino-8-(1,3-benzodioxol-5-ylthio)purin-9-yl]phenyl]propionic acid cyclopentyl ester Formula: C26H26N6O4S MolecularWeight: 518.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C(CC2=CC=C(C=C2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC6=C(C=C5)OCO6)N

Isomeric SMILES

C1CCC(C1)OC(=O)[C@H](CC2=CC=C(C=C2)N3C4=C(C(=NC=N4)N)N=C3SC5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C26H26N6O4S/c27-19(25(33)36-17-3-1-2-4-17)11-15-5-7-16(8-6-15)32-24-22(23(28)29-13-30-24)31-26(32)37-18-9-10-20-21(12-18)35-14-34-20/h5-10,12-13,17,19H,1-4,11,14,27H2,(H2,28,29,30)/t19-/m0/s1