[(2R,3R,4R)-3,4-diacetyloxy-1-azido-5,5-bis(phenylmethylsulfanyl)pentan-2-yl] ethanoate

Systemtic Name: [(2R,3R,4R)-3,4-diacetyloxy-1-azido-5,5-bis(phenylmethylsulfanyl)pentan-2-yl] ethanoate Openeye Name: [(1R,2R,3R)-2,3-diacetoxy-1-(azidomethyl)-4,4-bis(benzylsulfanyl)butyl] acetate CAS Name: acetic acid [(2R,3R,4R)-3,4-diacetyloxy-1-azido-5,5-bis(phenylmethylthio)pentan-2-yl] ester IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-1-azido-5,5-bis(benzylsulfanyl)pentan-2-yl] acetate Traditional Name: acetic acid [(1R,2R,3R)-2,3-diacetoxy-1-(azidomethyl)-4,4-bis(benzylthio)butyl] ester Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN=[N+]=[N-])C(C(C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)O[C@H](CN=[N+]=[N-])[C@H]([C@H](C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H29N3O6S2/c1-17(29)32-22(14-27-28-26)23(33-18(2)30)24(34-19(3)31)25(35-15-20-10-6-4-7-11-20)36-16-21-12-8-5-9-13-21/h4-13,22-25H,14-16H2,1-3H3/t22-,23-,24-/m1/s1