(3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-ethanoyl-N1-phenyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-ethanoyl-N1-phenyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-4-acetyl-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-phenyl-piperazine-1,3-dicarboxamide CAS Name: (3R)-4-acetyl-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-4-acetyl-3-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-phenylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-4-acetyl-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-phenyl-piperazine-1,3-dicarboxamide Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(C[C@@H]1C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O4/c1-16(32)31-12-11-30(25(35)28-18-7-3-2-4-8-18)15-22(31)24(34)29-21(23(26)33)13-17-14-27-20-10-6-5-9-19(17)20/h2-10,14,21-22,27H,11-13,15H2,1H3,(H2,26,33)(H,28,35)(H,29,34)/t21-,22-/m1/s1