methyl 3-(1H-imidazol-5-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoate

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoate Openeye Name: methyl 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)OC

InChI

InChI=1S/C21H28N4O5/c1-21(2,3)30-20(28)25-16(10-14-8-6-5-7-9-14)18(26)24-17(19(27)29-4)11-15-12-22-13-23-15/h5-9,12-13,16-17H,10-11H2,1-4H3,(H,22,23)(H,24,26)(H,25,28)