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

Systemtic Name: (3S,6S)-1-hexyl-3-(pyridin-3-ylmethyl)-6-(sulfanylmethyl)piperazine-2,5-dione Openeye Name: (3S,6S)-1-hexyl-3-(3-pyridylmethyl)-6-(sulfanylmethyl)piperazine-2,5-dione CAS Name: (3S,6S)-1-hexyl-6-(mercaptomethyl)-3-(3-pyridinylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6S)-1-hexyl-3-(pyridin-3-ylmethyl)-6-(sulfanylmethyl)piperazine-2,5-dione Traditional Name: (3S,6S)-1-hexyl-6-(mercaptomethyl)-3-(3-pyridylmethyl)piperazine-2,5-quinone Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(=O)NC(C1=O)CC2=CN=CC=C2)CS

Isomeric SMILES

CCCCCCN1[C@@H](C(=O)N[C@H](C1=O)CC2=CN=CC=C2)CS

InChI

InChI=1S/C17H25N3O2S/c1-2-3-4-5-9-20-15(12-23)16(21)19-14(17(20)22)10-13-7-6-8-18-11-13/h6-8,11,14-15,23H,2-5,9-10,12H2,1H3,(H,19,21)/t14-,15+/m0/s1