(2S)-N-[(3S)-1-oxidanyl-2-oxidanylidene-azepan-3-yl]-3-phenyl-2-sulfanyl-propanamide

Systemtic Name: (2S)-N-[(3S)-1-oxidanyl-2-oxidanylidene-azepan-3-yl]-3-phenyl-2-sulfanyl-propanamide Openeye Name: (2S)-N-[(3S)-1-hydroxy-2-oxo-azepan-3-yl]-3-phenyl-2-sulfanyl-propanamide CAS Name: (2S)-N-[(3S)-1-hydroxy-2-oxo-3-azepanyl]-2-mercapto-3-phenylpropanamide IUPAC Name: (2S)-N-[(3S)-1-hydroxy-2-oxoazepan-3-yl]-3-phenyl-2-sulfanylpropanamide Traditional Name: (2S)-N-[(3S)-1-hydroxy-2-keto-azepan-3-yl]-2-mercapto-3-phenyl-propionamide Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C(CC2=CC=CC=C2)S)O

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NC(=O)[C@H](CC2=CC=CC=C2)S)O

InChI

InChI=1S/C15H20N2O3S/c18-14(13(21)10-11-6-2-1-3-7-11)16-12-8-4-5-9-17(20)15(12)19/h1-3,6-7,12-13,20-21H,4-5,8-10H2,(H,16,18)/t12-,13-/m0/s1