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

Systemtic Name: methyl 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S/c1-13(12-30-14(2)24)20(27)23-10-4-5-18(23)19(26)22-17(21(28)29-3)11-15-6-8-16(25)9-7-15/h6-9,13,17-18,25H,4-5,10-12H2,1-3H3,(H,22,26)