(3S,6S)-3,6-bis[(5-oxidanyl-1H-indol-3-yl)methyl]piperazine-2,5-dione

Systemtic Name: (3S,6S)-3,6-bis[(5-oxidanyl-1H-indol-3-yl)methyl]piperazine-2,5-dione Openeye Name: (3S,6S)-3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione CAS Name: (3S,6S)-3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione IUPAC Name: (3S,6S)-3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione Traditional Name: (3S,6S)-3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-quinone Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)C(=CN2)CC3C(=O)NC(C(=O)N3)CC4=CNC5=C4C=C(C=C5)O

Isomeric SMILES

C1=CC2=C(C=C1O)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N3)CC4=CNC5=C4C=C(C=C5)O

InChI

InChI=1S/C22H20N4O4/c27-13-1-3-17-15(7-13)11(9-23-17)5-19-21(29)26-20(22(30)25-19)6-12-10-24-18-4-2-14(28)8-16(12)18/h1-4,7-10,19-20,23-24,27-28H,5-6H2,(H,25,30)(H,26,29)/t19-,20-/m0/s1