(2S)-3-cyclohexyl-2-[(1-methylimidazol-4-yl)sulfonylamino]-N-[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]propanamide

Systemtic Name: (2S)-3-cyclohexyl-2-[(1-methylimidazol-4-yl)sulfonylamino]-N-[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]propanamide Openeye Name: (2S)-3-cyclohexyl-2-[(1-methylimidazol-4-yl)sulfonylamino]-N-[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]propanamide CAS Name: (2S)-3-cyclohexyl-2-[(1-methyl-4-imidazolyl)sulfonylamino]-N-[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]propanamide IUPAC Name: (2S)-3-cyclohexyl-2-[(1-methylimidazol-4-yl)sulfonylamino]-N-[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]propanamide Traditional Name: (2S)-3-cyclohexyl-N-[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]-2-[(1-methylimidazol-4-yl)sulfonylamino]propionamide Formula: C24H34N6O6S2 MolecularWeight: 566.69336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)NC(CC2CCCCC2)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H]3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C24H34N6O6S2/c1-29-16-23(26-17-29)37(33,34)28-20(14-18-8-3-2-4-9-18)24(32)27-19-10-7-13-30(15-21(19)31)38(35,36)22-11-5-6-12-25-22/h5-6,11-12,16-20,28H,2-4,7-10,13-15H2,1H3,(H,27,32)/t19-,20-/m0/s1