(3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-morpholin-4-ylcarbonyl-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-morpholin-4-ylcarbonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-isopropyl-4-(morpholine-4-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[4-morpholinyl(oxo)methyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(morpholine-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-isopropyl-4-(morpholine-4-carbonyl)piperazine-1,3-dicarboxamide Formula: C25H35N7O5 MolecularWeight: 513.5893

Click to see the large picture

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)N4CCOCC4

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)N4CCOCC4

InChI

InChI=1S/C25H35N7O5/c1-16(2)28-24(35)31-7-8-32(25(36)30-9-11-37-12-10-30)21(15-31)23(34)29-20(22(26)33)13-17-14-27-19-6-4-3-5-18(17)19/h3-6,14,16,20-21,27H,7-13,15H2,1-2H3,(H2,26,33)(H,28,35)(H,29,34)/t20-,21-/m1/s1