tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[[1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-hydroxyphenyl)-2-[[1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-[[1-(3-mercapto-2-methyl-propanoyl)prolyl]amino]propionic acid tert-butyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CS)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H32N2O5S/c1-14(13-30)20(27)24-11-5-6-18(24)19(26)23-17(21(28)29-22(2,3)4)12-15-7-9-16(25)10-8-15/h7-10,14,17-18,25,30H,5-6,11-13H2,1-4H3,(H,23,26)