2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-(methylthio)butyric acid Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C19H28N2O6S/c1-19(2,3)27-18(26)21-15(11-12-5-7-13(22)8-6-12)16(23)20-14(17(24)25)9-10-28-4/h5-8,14-15,22H,9-11H2,1-4H3,(H,20,23)(H,21,26)(H,24,25)