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

Systemtic Name: (3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-methylsulfonyl-N1-propan-2-yl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-isopropyl-4-methylsulfonyl-piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-methylsulfonyl-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-methylsulfonyl-1-N-propan-2-ylpiperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N-isopropyl-4-mesyl-piperazine-1,3-dicarboxamide Formula: C19H35N5O5S MolecularWeight: 445.5767

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H35N5O5S/c1-13(2)21-19(27)23-9-10-24(30(3,28)29)16(12-23)18(26)22-15(17(20)25)11-14-7-5-4-6-8-14/h13-16H,4-12H2,1-3H3,(H2,20,25)(H,21,27)(H,22,26)/t15-,16+/m0/s1