(2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-ethanoyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-4-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-1-(2-thenoyl)piperazine-2-carboxamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4S/c1-14(26)24-9-10-25(21(29)18-8-5-11-30-18)17(13-24)20(28)23-16(19(22)27)12-15-6-3-2-4-7-15/h5,8,11,15-17H,2-4,6-7,9-10,12-13H2,1H3,(H2,22,27)(H,23,28)/t16-,17-/m0/s1