3-[2-[3-ethanoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[3-ethanoylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[3-acetylsulfanyl-2-(tert-butoxycarbonylamino)propanoyl]oxyphenyl]propanoic acid CAS Name: 3-[2-[3-(acetylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[3-acetylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[3-(acetylthio)-2-(tert-butoxycarbonylamino)propanoyl]oxyphenyl]propionic acid Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)OC1=CC=CC=C1CCC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SCC(C(=O)OC1=CC=CC=C1CCC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25NO7S/c1-12(21)28-11-14(20-18(25)27-19(2,3)4)17(24)26-15-8-6-5-7-13(15)9-10-16(22)23/h5-8,14H,9-11H2,1-4H3,(H,20,25)(H,22,23)