1-[3-[2-acetamido-3-(3-chloranyl-4-oxidanyl-phenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[2-acetamido-3-(3-chloranyl-4-oxidanyl-phenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[2-acetamido-3-(3-chloro-4-hydroxy-phenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3-[[2-acetamido-3-(3-chloro-4-hydroxyphenyl)-1-oxopropyl]thio]-1-oxopropyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[2-acetamido-3-(3-chloro-4-hydroxyphenyl)propanoyl]sulfanylpropanoylamino]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[[2-acetamido-3-(3-chloro-4-hydroxy-phenyl)propanoyl]thio]propanoylamino]proline Formula: C19H24ClN3O6S MolecularWeight: 457.92836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O6S/c1-11(24)21-14(10-12-4-5-16(25)13(20)9-12)19(29)30-8-6-17(26)22-23-7-2-3-15(23)18(27)28/h4-5,9,14-15,25H,2-3,6-8,10H2,1H3,(H,21,24)(H,22,26)(H,27,28)