(3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-methylsulfonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-methylsulfonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-isopropyl-4-methylsulfonyl-piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonyl-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonyl-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-isopropyl-4-mesyl-piperazine-1,3-dicarboxamide Formula: C21H30N6O5S MolecularWeight: 478.5651

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O5S/c1-13(2)24-21(30)26-8-9-27(33(3,31)32)18(12-26)20(29)25-17(19(22)28)10-14-11-23-16-7-5-4-6-15(14)16/h4-7,11,13,17-18,23H,8-10,12H2,1-3H3,(H2,22,28)(H,24,30)(H,25,29)/t17-,18-/m1/s1