methyl (2S)-3-(3-methanoyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(3-methanoyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(3-formyl-4-hydroxy-phenyl)propanoate CAS Name: (2S)-3-(3-formyl-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-formyl-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3-formyl-4-hydroxy-phenyl)propionic acid methyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(20)22-4)8-10-5-6-13(19)11(7-10)9-18/h5-7,9,12,19H,8H2,1-4H3,(H,17,21)/t12-/m0/s1