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

Systemtic Name: (2R)-N-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-methylsulfonyl-1-morpholin-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-methylsulfonyl-1-(morpholine-4-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonyl-1-[4-morpholinyl(oxo)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonyl-1-(morpholine-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-mesyl-1-(morpholine-4-carbonyl)piperazine-2-carboxamide Formula: C22H30N6O6S MolecularWeight: 506.5752

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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)N4CCOCC4

Isomeric SMILES

CS(=O)(=O)N1CCN([C@H](C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)N4CCOCC4

InChI

InChI=1S/C22H30N6O6S/c1-35(32,33)27-6-7-28(22(31)26-8-10-34-11-9-26)19(14-27)21(30)25-18(20(23)29)12-15-13-24-17-5-3-2-4-16(15)17/h2-5,13,18-19,24H,6-12,14H2,1H3,(H2,23,29)(H,25,30)/t18-,19-/m1/s1