(3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonyl)-N1-propan-2-yl-piperazine-1,3-dicarboxamide

Systemtic Name: (3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(phenylsulfonyl)-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)-N1-isopropyl-piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-besyl-N-isopropyl-piperazine-1,3-dicarboxamide Formula: C24H37N5O5S MolecularWeight: 507.64608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2CCCCC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H37N5O5S/c1-17(2)26-24(32)28-13-14-29(35(33,34)19-11-7-4-8-12-19)21(16-28)23(31)27-20(22(25)30)15-18-9-5-3-6-10-18/h4,7-8,11-12,17-18,20-21H,3,5-6,9-10,13-16H2,1-2H3,(H2,25,30)(H,26,32)(H,27,31)/t20-,21+/m0/s1