methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenacyl-1-prop-2-enyl-imidazol-1-ium-4-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenacyl-1-prop-2-enyl-imidazol-1-ium-4-yl)propanoate Openeye Name: methyl (2S)-3-(1-allyl-3-phenacyl-imidazol-1-ium-4-yl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-phenacyl-1-prop-2-enyl-4-imidazol-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenacyl-1-prop-2-enylimidazol-1-ium-4-yl)propanoate Traditional Name: (2S)-3-(1-allyl-3-phenacyl-imidazol-1-ium-4-yl)-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C[N+](=CN1CC(=O)C2=CC=CC=C2)CC=C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=C[N+](=CN1CC(=O)C2=CC=CC=C2)CC=C)C(=O)OC

InChI

InChI=1S/C23H29N3O5/c1-6-12-25-14-18(26(16-25)15-20(27)17-10-8-7-9-11-17)13-19(21(28)30-5)24-22(29)31-23(2,3)4/h6-11,14,16,19H,1,12-13,15H2,2-5H3/p+1/t19-/m0/s1