(3R,6R)-3-(1H-indol-3-ylmethyl)-3-methylsulfanyl-6-oxidanyl-6-propan-2-yl-piperazine-2,5-dione

Systemtic Name: (3R,6R)-3-(1H-indol-3-ylmethyl)-3-methylsulfanyl-6-oxidanyl-6-propan-2-yl-piperazine-2,5-dione Openeye Name: (3R,6R)-3-hydroxy-6-(1H-indol-3-ylmethyl)-3-isopropyl-6-methylsulfanyl-piperazine-2,5-dione CAS Name: (3R,6R)-3-hydroxy-6-(1H-indol-3-ylmethyl)-6-(methylthio)-3-propan-2-ylpiperazine-2,5-dione IUPAC Name: (3R,6R)-3-hydroxy-6-(1H-indol-3-ylmethyl)-6-methylsulfanyl-3-propan-2-ylpiperazine-2,5-dione Traditional Name: (3R,6R)-3-hydroxy-6-(1H-indol-3-ylmethyl)-3-isopropyl-6-(methylthio)piperazine-2,5-quinone Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(C(=O)N1)(CC2=CNC3=CC=CC=C32)SC)O

Isomeric SMILES

CC(C)[C@]1(C(=O)N[C@](C(=O)N1)(CC2=CNC3=CC=CC=C32)SC)O

InChI

InChI=1S/C17H21N3O3S/c1-10(2)17(23)15(22)19-16(24-3,14(21)20-17)8-11-9-18-13-7-5-4-6-12(11)13/h4-7,9-10,18,23H,8H2,1-3H3,(H,19,22)(H,20,21)/t16-,17-/m1/s1