(3S,6R)-1-(2-azidophenyl)carbonyl-6-(1H-indol-3-ylmethyl)-3-methyl-piperazine-2,5-dione

Systemtic Name: (3S,6R)-1-(2-azidophenyl)carbonyl-6-(1H-indol-3-ylmethyl)-3-methyl-piperazine-2,5-dione Openeye Name: (3S,6R)-1-(2-azidobenzoyl)-6-(1H-indol-3-ylmethyl)-3-methyl-piperazine-2,5-dione CAS Name: (3S,6R)-1-[(2-azidophenyl)-oxomethyl]-6-(1H-indol-3-ylmethyl)-3-methylpiperazine-2,5-dione IUPAC Name: (3S,6R)-1-(2-azidobenzoyl)-6-(1H-indol-3-ylmethyl)-3-methylpiperazine-2,5-dione Traditional Name: (3S,6R)-1-(2-azidobenzoyl)-6-(1H-indol-3-ylmethyl)-3-methyl-piperazine-2,5-quinone Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4N=[N+]=[N-]

Isomeric SMILES

C[C@H]1C(=O)N([C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4N=[N+]=[N-]

InChI

InChI=1S/C21H18N6O3/c1-12-20(29)27(21(30)15-7-3-5-9-17(15)25-26-22)18(19(28)24-12)10-13-11-23-16-8-4-2-6-14(13)16/h2-9,11-12,18,23H,10H2,1H3,(H,24,28)/t12-,18+/m0/s1