2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-3-[(4-phenoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-[(4-phenoxyphenyl)methylsulfanyl]-3-sulfanylpropanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-[(4-phenoxybenzyl)thio]propionic acid Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(S)SCC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H23NO4S2/c1-13(2)18(22)21-17(19(23)24)20(26)27-12-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-11,13,17,20,26H,12H2,1-2H3,(H,21,22)(H,23,24)