(3S,6S)-1-octyl-3-(pyridin-3-ylmethyl)-6-(sulfanylmethyl)piperazine-2,5-dione

Systemtic Name: (3S,6S)-1-octyl-3-(pyridin-3-ylmethyl)-6-(sulfanylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-1-octyl-3-(3-pyridylmethyl)-6-(sulfanylmethyl)piperazine-2,5-dione CAS Name: (3S,6S)-6-(mercaptomethyl)-1-octyl-3-(3-pyridinylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-1-octyl-3-(pyridin-3-ylmethyl)-6-(sulfanylmethyl)piperazine-2,5-dione Traditional Name: (3S,6S)-6-(mercaptomethyl)-1-octyl-3-(3-pyridylmethyl)piperazine-2,5-quinone Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(C(=O)NC(C1=O)CC2=CN=CC=C2)CS

Isomeric SMILES

CCCCCCCCN1[C@@H](C(=O)N[C@H](C1=O)CC2=CN=CC=C2)CS

InChI

InChI=1S/C19H29N3O2S/c1-2-3-4-5-6-7-11-22-17(14-25)18(23)21-16(19(22)24)12-15-9-8-10-20-13-15/h8-10,13,16-17,25H,2-7,11-12,14H2,1H3,(H,21,23)/t16-,17+/m0/s1