methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-yl-amino]propanoate

Systemtic Name: methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-yl-amino]propanoate Openeye Name: methyl (2S)-2-[tert-butoxycarbonyl(isopropyl)amino]-3-(1-methylimidazol-4-yl)propanoate CAS Name: (2S)-3-(1-methyl-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-propan-2-ylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate Traditional Name: (2S)-2-[tert-butoxycarbonyl(isopropyl)amino]-3-(1-methylimidazol-4-yl)propionic acid methyl ester Formula: C16H27N3O4 MolecularWeight: 325.40328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O4/c1-11(2)19(15(21)23-16(3,4)5)13(14(20)22-7)8-12-9-18(6)10-17-12/h9-11,13H,8H2,1-7H3/t13-/m0/s1