(3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-cyclohexylcarbonyl-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-cyclohexylcarbonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-(cyclohexanecarbonyl)-N1-isopropyl-piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[cyclohexyl(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-(cyclohexanecarbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-(cyclohexanecarbonyl)-N-isopropyl-piperazine-1,3-dicarboxamide Formula: C27H38N6O4 MolecularWeight: 510.62842

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)C4CCCCC4

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)C4CCCCC4

InChI

InChI=1S/C27H38N6O4/c1-17(2)30-27(37)32-12-13-33(26(36)18-8-4-3-5-9-18)23(16-32)25(35)31-22(24(28)34)14-19-15-29-21-11-7-6-10-20(19)21/h6-7,10-11,15,17-18,22-23,29H,3-5,8-9,12-14,16H2,1-2H3,(H2,28,34)(H,30,37)(H,31,35)/t22-,23-/m1/s1