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

Systemtic Name: (2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-methylsulfonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-methylsulfonyl-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonyl-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonyl-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-mesyl-1-(2-thenoyl)piperazine-2-carboxamide Formula: C22H25N5O5S2 MolecularWeight: 503.5944

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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)C4=CC=CS4

Isomeric SMILES

CS(=O)(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N5O5S2/c1-34(31,32)26-8-9-27(22(30)19-7-4-10-33-19)18(13-26)21(29)25-17(20(23)28)11-14-12-24-16-6-3-2-5-15(14)16/h2-7,10,12,17-18,24H,8-9,11,13H2,1H3,(H2,23,28)(H,25,29)/t17-,18-/m1/s1