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

Systemtic Name: ethyl 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(C)CSC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(C)CSC(=O)C

InChI

InChI=1S/C22H30N2O6S/c1-4-30-22(29)18(12-16-7-9-17(26)10-8-16)23-20(27)19-6-5-11-24(19)21(28)14(2)13-31-15(3)25/h7-10,14,18-19,26H,4-6,11-13H2,1-3H3,(H,23,27)