(2R)-2-acetamido-N-butyl-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-butyl-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-butyl-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-butyl-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-butyl-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-butyl-3-[(3-nitrophenyl)thio]propionamide Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CSC1=CC=CC(=C1)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCCCNC(=O)[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C15H21N3O4S/c1-3-4-8-16-15(20)14(17-11(2)19)10-23-13-7-5-6-12(9-13)18(21)22/h5-7,9,14H,3-4,8,10H2,1-2H3,(H,16,20)(H,17,19)/t14-/m0/s1