ethyl 3-(4-hydroxyphenyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-(4-hydroxyphenyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentyl]carbonylamino]propanoate Openeye Name: ethyl 3-(4-hydroxyphenyl)-2-[[1-[(3-methyl-2-sulfanyl-butanoyl)amino]cyclopentanecarbonyl]amino]propanoate CAS Name: 3-(4-hydroxyphenyl)-2-[[[1-[(2-mercapto-3-methyl-1-oxobutyl)amino]cyclopentyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-hydroxyphenyl)-2-[[1-[(3-methyl-2-sulfanylbutanoyl)amino]cyclopentanecarbonyl]amino]propanoate Traditional Name: 3-(4-hydroxyphenyl)-2-[[1-[(2-mercapto-3-methyl-butanoyl)amino]cyclopentanecarbonyl]amino]propionic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2(CCCC2)NC(=O)C(C(C)C)S

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2(CCCC2)NC(=O)C(C(C)C)S

InChI

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