methyl (2S)-3-[1-[(3-methyl-4-nitro-phenyl)methyl]imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[1-[(3-methyl-4-nitro-phenyl)methyl]imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[1-[(3-methyl-4-nitro-phenyl)methyl]imidazol-4-yl]propanoate CAS Name: (2S)-3-[1-[(3-methyl-4-nitrophenyl)methyl]-4-imidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[1-[(3-methyl-4-nitrophenyl)methyl]imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[1-(3-methyl-4-nitro-benzyl)imidazol-4-yl]propionic acid methyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C=C(N=C2)CC(C(=O)OC)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C=C(N=C2)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O6/c1-13-8-14(6-7-17(13)24(27)28)10-23-11-15(21-12-23)9-16(18(25)29-5)22-19(26)30-20(2,3)4/h6-8,11-12,16H,9-10H2,1-5H3,(H,22,26)/t16-/m0/s1