methyl (2S,3R)-3-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-3-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-2-(tert-butoxycarbonylamino)-3-(2,4-dimethylphenyl)-3-hydroxy-propanoate CAS Name: (2S,3R)-3-(2,4-dimethylphenyl)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(2,4-dimethylphenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S,3R)-2-(tert-butoxycarbonylamino)-3-(2,4-dimethylphenyl)-3-hydroxy-propionic acid methyl ester Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H]([C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O)C

InChI

InChI=1S/C17H25NO5/c1-10-7-8-12(11(2)9-10)14(19)13(15(20)22-6)18-16(21)23-17(3,4)5/h7-9,13-14,19H,1-6H3,(H,18,21)/t13-,14+/m0/s1