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

Systemtic Name: (3S)-N3-[(2S)-1-azanyl-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]-N1-propan-2-yl-4-thiophen-2-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1S)-2-amino-2-oxo-1-(3-pyridylmethyl)ethyl]-N1-isopropyl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-[(2S)-1-amino-1-oxo-3-(3-pyridinyl)propan-2-yl]-4-[oxo(thiophen-2-yl)methyl]-N1-propan-2-ylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(2S)-1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl]-1-N-propan-2-yl-4-(thiophene-2-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1S)-2-amino-2-keto-1-(3-pyridylmethyl)ethyl]-N-isopropyl-4-(2-thenoyl)piperazine-1,3-dicarboxamide Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2=CN=CC=C2)C(=O)N)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)N1CCN([C@@H](C1)C(=O)N[C@@H](CC2=CN=CC=C2)C(=O)N)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N6O4S/c1-14(2)25-22(32)27-8-9-28(21(31)18-6-4-10-33-18)17(13-27)20(30)26-16(19(23)29)11-15-5-3-7-24-12-15/h3-7,10,12,14,16-17H,8-9,11,13H2,1-2H3,(H2,23,29)(H,25,32)(H,26,30)/t16-,17-/m0/s1