(2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-[(2S)-2-ethylhexyl]-3-[(3-nitrophenyl)thio]propionamide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O4S/c1-4-6-8-15(5-2)12-20-19(24)18(21-14(3)23)13-27-17-10-7-9-16(11-17)22(25)26/h7,9-11,15,18H,4-6,8,12-13H2,1-3H3,(H,20,24)(H,21,23)/t15-,18-/m0/s1