3-(4H-imidazol-4-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-(4H-imidazol-4-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(4H-imidazol-4-yl)propanoic acid CAS Name: 3-(4H-imidazol-4-yl)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 3-(4H-imidazol-4-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(4H-imidazol-4-yl)propionic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2C=NC=N2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2C=NC=N2)C(=O)O

InChI

InChI=1S/C20H26N4O5/c1-20(2,3)29-19(28)24-15(9-13-7-5-4-6-8-13)17(25)23-16(18(26)27)10-14-11-21-12-22-14/h4-8,11-12,14-16H,9-10H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)