2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methyl-4-prop-2-enoxycarbonyl-phenyl)sulfanyl-propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methyl-4-prop-2-enoxycarbonyl-phenyl)sulfanyl-propanoic acid Openeye Name: 3-(4-allyloxycarbonyl-2-methyl-phenyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[[2-methyl-4-[oxo(prop-2-enoxy)methyl]phenyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methyl-4-prop-2-enoxycarbonylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-allyloxycarbonyl-2-methyl-phenyl)thio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC=C)SCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC=C)SCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25NO6S/c1-6-9-25-17(23)13-7-8-15(12(2)10-13)27-11-14(16(21)22)20-18(24)26-19(3,4)5/h6-8,10,14H,1,9,11H2,2-5H3,(H,20,24)(H,21,22)