methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(1-methylimidazol-4-yl)propanoate CAS Name: (2S)-3-(1-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-methylimidazol-4-yl)propionic acid methyl ester Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C)C(=O)OC

InChI

InChI=1S/C13H21N3O4/c1-13(2,3)20-12(18)15-10(11(17)19-5)6-9-7-16(4)8-14-9/h7-8,10H,6H2,1-5H3,(H,15,18)/t10-/m0/s1