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

Systemtic Name: (2S)-3-cyclohexyl-2-(morpholin-4-ylsulfonylamino)-N-[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]propanamide Openeye Name: (2S)-3-cyclohexyl-2-(morpholinosulfonylamino)-N-[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]propanamide CAS Name: (2S)-3-cyclohexyl-2-(4-morpholinylsulfonylamino)-N-[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]propanamide IUPAC Name: (2S)-3-cyclohexyl-2-(morpholin-4-ylsulfonylamino)-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-(morpholinosulfonylamino)propionamide Formula: C24H37N5O7S2 MolecularWeight: 571.70988

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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)NS(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=N3)NS(=O)(=O)N4CCOCC4

InChI

InChI=1S/C24H37N5O7S2/c30-22-18-29(37(32,33)23-10-4-5-11-25-23)12-6-9-20(22)26-24(31)21(17-19-7-2-1-3-8-19)27-38(34,35)28-13-15-36-16-14-28/h4-5,10-11,19-21,27H,1-3,6-9,12-18H2,(H,26,31)/t20-,21-/m0/s1