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(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-phenethyl-propanamide

(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-phenethyl-propanamide

Systemtic Name:(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-phenethyl-propanamide
Openeye Name:(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-phenethyl-propanamide
CAS Name:(2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N-phenethylpropanamide
IUPAC Name:(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-phenethylpropanamide
Traditional Name:(2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N-phenethyl-propionamide
Formula: C19H21N3O4S
MolecularWeight: 387.45274
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCCC2=CC=CC=C2


Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCCC2=CC=CC=C2


InChI

InChI=1S/C19H21N3O4S/c1-14(23)21-18(13-27-17-9-5-8-16(12-17)22(25)26)19(24)20-11-10-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13H2,1H3,(H,20,24)(H,21,23)/t18-/m1/s1


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