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

Systemtic Name: (2R,5S)-5-(3-cyclohexylpropanoylamino)-6-oxidanylidene-1-pyridin-2-ylsulfonyl-azepane-2-carboxamide Openeye Name: (2R,5S)-5-(3-cyclohexylpropanoylamino)-6-oxo-1-(2-pyridylsulfonyl)azepane-2-carboxamide CAS Name: (2R,5S)-5-[(3-cyclohexyl-1-oxopropyl)amino]-6-oxo-1-(2-pyridinylsulfonyl)-2-azepanecarboxamide IUPAC Name: (2R,5S)-5-(3-cyclohexylpropanoylamino)-6-oxo-1-pyridin-2-ylsulfonylazepane-2-carboxamide Traditional Name: (2R,5S)-5-(3-cyclohexylpropanoylamino)-6-keto-1-(2-pyridylsulfonyl)azepane-2-carboxamide Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC2CCC(N(CC2=O)S(=O)(=O)C3=CC=CC=N3)C(=O)N

Isomeric SMILES

C1CCC(CC1)CCC(=O)N[C@H]2CC[C@@H](N(CC2=O)S(=O)(=O)C3=CC=CC=N3)C(=O)N

InChI

InChI=1S/C21H30N4O5S/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/h4-5,8,13,15-17H,1-3,6-7,9-12,14H2,(H2,22,28)(H,24,27)/t16-,17+/m0/s1