2-acetamido-3-nitrososulfanyl-4-phenyl-3-(phenylmethyl)butanoic acid

Systemtic Name: 2-acetamido-3-nitrososulfanyl-4-phenyl-3-(phenylmethyl)butanoic acid Openeye Name: 2-acetamido-3-benzyl-3-nitrososulfanyl-4-phenyl-butanoic acid CAS Name: 2-acetamido-3-(nitrosothio)-4-phenyl-3-(phenylmethyl)butanoic acid IUPAC Name: 2-acetamido-3-benzyl-3-nitrososulfanyl-4-phenylbutanoic acid Traditional Name: 2-acetamido-3-benzyl-3-(nitrosothio)-4-phenyl-butyric acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)SN=O

Isomeric SMILES

CC(=O)NC(C(=O)O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)SN=O

InChI

InChI=1S/C19H20N2O4S/c1-14(22)20-17(18(23)24)19(26-21-25,12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,20,22)(H,23,24)