(2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-4-methylsulfonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-4-methylsulfonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(cyclohexanecarbonyl)-4-methylsulfonyl-piperazine-2-carboxamide CAS Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[cyclohexyl(oxo)methyl]-4-methylsulfonyl-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(cyclohexanecarbonyl)-4-methylsulfonylpiperazine-2-carboxamide Traditional Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-(cyclohexanecarbonyl)-4-mesyl-piperazine-2-carboxamide Formula: C24H33N5O5S MolecularWeight: 503.61432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O5S/c1-35(33,34)28-11-12-29(24(32)16-7-3-2-4-8-16)21(15-28)23(31)27-20(22(25)30)13-17-14-26-19-10-6-5-9-18(17)19/h5-6,9-10,14,16,20-21,26H,2-4,7-8,11-13,15H2,1H3,(H2,25,30)(H,27,31)/t20-,21-/m1/s1