(2R,5S,6S)-5-(3-cyclohexylpropanoylamino)-6-oxidanyl-1-pyridin-2-ylsulfonyl-azepane-2-carboxamide

Systemtic Name: (2R,5S,6S)-5-(3-cyclohexylpropanoylamino)-6-oxidanyl-1-pyridin-2-ylsulfonyl-azepane-2-carboxamide Openeye Name: (2R,5S,6S)-5-(3-cyclohexylpropanoylamino)-6-hydroxy-1-(2-pyridylsulfonyl)azepane-2-carboxamide CAS Name: (2R,5S,6S)-5-[(3-cyclohexyl-1-oxopropyl)amino]-6-hydroxy-1-(2-pyridinylsulfonyl)-2-azepanecarboxamide IUPAC Name: (2R,5S,6S)-5-(3-cyclohexylpropanoylamino)-6-hydroxy-1-pyridin-2-ylsulfonylazepane-2-carboxamide Traditional Name: (2R,5S,6S)-5-(3-cyclohexylpropanoylamino)-6-hydroxy-1-(2-pyridylsulfonyl)azepane-2-carboxamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2CCC(N(CC2O)S(=O)(=O)C3=CC=CC=N3)C(=O)N

Isomeric SMILES

C1CCC(CC1)CCC(=O)N[C@H]2CC[C@@H](N(C[C@@H]2O)S(=O)(=O)C3=CC=CC=N3)C(=O)N

InChI

InChI=1S/C21H32N4O5S/c22-21(28)17-11-10-16(24-19(27)12-9-15-6-2-1-3-7-15)18(26)14-25(17)31(29,30)20-8-4-5-13-23-20/h4-5,8,13,15-18,26H,1-3,6-7,9-12,14H2,(H2,22,28)(H,24,27)/t16-,17+,18-/m0/s1