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

Systemtic Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-(3-butoxypropyl)-3-[(3-nitrophenyl)thio]propionamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-3-4-10-26-11-6-9-19-18(23)17(20-14(2)22)13-27-16-8-5-7-15(12-16)21(24)25/h5,7-8,12,17H,3-4,6,9-11,13H2,1-2H3,(H,19,23)(H,20,22)/t17-/m0/s1