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

Systemtic Name: (3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-ethanoyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-4-acetyl-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-isopropyl-piperazine-1,3-dicarboxamide CAS Name: (3R)-4-acetyl-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-4-acetyl-3-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-4-acetyl-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-isopropyl-piperazine-1,3-dicarboxamide Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C

InChI

InChI=1S/C22H30N6O4/c1-13(2)25-22(32)27-8-9-28(14(3)29)19(12-27)21(31)26-18(20(23)30)10-15-11-24-17-7-5-4-6-16(15)17/h4-7,11,13,18-19,24H,8-10,12H2,1-3H3,(H2,23,30)(H,25,32)(H,26,31)/t18-,19-/m1/s1