1-[3-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]thio]-1-oxopropyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]thio]propanoylamino]proline Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)SCCC(=O)NN2CCCC2C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)SCCC(=O)NN2CCCC2C(=O)O

InChI

InChI=1S/C19H25N3O6S/c1-12(23)20-15(11-13-4-6-14(24)7-5-13)19(28)29-10-8-17(25)21-22-9-2-3-16(22)18(26)27/h4-7,15-16,24H,2-3,8-11H2,1H3,(H,20,23)(H,21,25)(H,26,27)