(2S)-2-acetamido-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(2-hydroxyethyl)-3-[(3-nitrophenyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-benzyl-N-(2-hydroxyethyl)-3-[(3-nitrophenyl)thio]propionamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N(CCO)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N(CCO)CC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O5S/c1-15(25)21-19(14-29-18-9-5-8-17(12-18)23(27)28)20(26)22(10-11-24)13-16-6-3-2-4-7-16/h2-9,12,19,24H,10-11,13-14H2,1H3,(H,21,25)/t19-/m1/s1