(2R)-N2-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-N4-propan-2-yl-piperazine-1,2,4-tricarboxamide

Systemtic Name: (2R)-N2-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-N4-propan-2-yl-piperazine-1,2,4-tricarboxamide Openeye Name: (2R)-N2-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-cyclohexyl-N4-isopropyl-piperazine-1,2,4-tricarboxamide CAS Name: (2R)-N2-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N1-cyclohexyl-N4-propan-2-ylpiperazine-1,2,4-tricarboxamide IUPAC Name: (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-cyclohexyl-4-N-propan-2-ylpiperazine-1,2,4-tricarboxamide Traditional Name: (2R)-N2-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N1-cyclohexyl-N4-isopropyl-piperazine-1,2,4-tricarboxamide Formula: C27H39N7O4 MolecularWeight: 525.64306

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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)NC4CCCCC4

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)NC4CCCCC4

InChI

InChI=1S/C27H39N7O4/c1-17(2)30-26(37)33-12-13-34(27(38)31-19-8-4-3-5-9-19)23(16-33)25(36)32-22(24(28)35)14-18-15-29-21-11-7-6-10-20(18)21/h6-7,10-11,15,17,19,22-23,29H,3-5,8-9,12-14,16H2,1-2H3,(H2,28,35)(H,30,37)(H,31,38)(H,32,36)/t22-,23-/m1/s1