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

Systemtic Name: (3R)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-propan-2-yl-4-thiophen-2-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3R)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-N1-isopropyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3R)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[oxo(thiophen-2-yl)methyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3R)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-N-isopropyl-4-(2-thenoyl)piperazine-1,3-dicarboxamide Formula: C23H35N5O4S MolecularWeight: 477.6201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2CCCCC2)C(=O)N)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@H](C1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H35N5O4S/c1-15(2)25-23(32)27-10-11-28(22(31)19-9-6-12-33-19)18(14-27)21(30)26-17(20(24)29)13-16-7-4-3-5-8-16/h6,9,12,15-18H,3-5,7-8,10-11,13-14H2,1-2H3,(H2,24,29)(H,25,32)(H,26,30)/t17-,18+/m0/s1