3-phenylmethoxy-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid

Systemtic Name: 3-phenylmethoxy-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Openeye Name: 3-benzyloxy-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylbutyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 3-phenylmethoxy-2-[[3-phenyl-2-(sulfanylmethyl)butanoyl]amino]propanoic acid Traditional Name: 3-benzoxy-2-[[2-(mercaptomethyl)-3-phenyl-butanoyl]amino]propionic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CS)C(=O)NC(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(CS)C(=O)NC(COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25NO4S/c1-15(17-10-6-3-7-11-17)18(14-27)20(23)22-19(21(24)25)13-26-12-16-8-4-2-5-9-16/h2-11,15,18-19,27H,12-14H2,1H3,(H,22,23)(H,24,25)