N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]pyrazine-2-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]pyrazine-2-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]pyrazine-2-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-2-pyrazinecarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]pyrazine-2-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]pyrazinamide Formula: C25H32N6O5S MolecularWeight: 528.62378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=N3)NC(=O)C4=NC=CN=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=N3)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C25H32N6O5S/c32-22-17-31(37(35,36)23-10-4-5-11-28-23)14-6-9-19(22)29-24(33)20(15-18-7-2-1-3-8-18)30-25(34)21-16-26-12-13-27-21/h4-5,10-13,16,18-20H,1-3,6-9,14-15,17H2,(H,29,33)(H,30,34)/t19-,20-/m0/s1