2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C20H26N2O6S/c1-12(11-29-13(2)23)19(26)22-9-3-4-17(22)18(25)21-16(20(27)28)10-14-5-7-15(24)8-6-14/h5-8,12,16-17,24H,3-4,9-11H2,1-2H3,(H,21,25)(H,27,28)