methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-ethanoyl-piperazin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-ethanoyl-piperazin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[[(2S)-4-acetyl-1-[cyclohexyl(oxo)methyl]-2-piperazinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[(2S)-4-acetyl-1-(cyclohexanecarbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H34N4O5 MolecularWeight: 482.57196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)C(=O)C4CCCCC4

Isomeric SMILES

CC(=O)N1CCN([C@@H](C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C(=O)C4CCCCC4

InChI

InChI=1S/C26H34N4O5/c1-17(31)29-12-13-30(25(33)18-8-4-3-5-9-18)23(16-29)24(32)28-22(26(34)35-2)14-19-15-27-21-11-7-6-10-20(19)21/h6-7,10-11,15,18,22-23,27H,3-5,8-9,12-14,16H2,1-2H3,(H,28,32)/t22-,23+/m1/s1