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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-pyridin-3-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[oxo(3-pyridinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(pyridine-3-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-nicotinoyl-1-(2-thenoyl)piperazine-2-carboxamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H31N5O4S/c26-22(31)19(14-17-6-2-1-3-7-17)28-23(32)20-16-29(24(33)18-8-4-10-27-15-18)11-12-30(20)25(34)21-9-5-13-35-21/h4-5,8-10,13,15,17,19-20H,1-3,6-7,11-12,14,16H2,(H2,26,31)(H,28,32)/t19-,20-/m0/s1