3-[3-[(3-fluorophenyl)methyl]-2-oxidanylidene-imidazol-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[3-[(3-fluorophenyl)methyl]-2-oxidanylidene-imidazol-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[3-[(3-fluorophenyl)methyl]-2-oxo-imidazol-1-yl]propanoic acid CAS Name: 3-[3-[(3-fluorophenyl)methyl]-2-oxo-1-imidazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[3-[(3-fluorophenyl)methyl]-2-oxoimidazol-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[3-(3-fluorobenzyl)-2-keto-4-imidazolin-1-yl]propionic acid Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CN2C=CN(C2=O)CC3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CN2C=CN(C2=O)CC3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C21H20FN3O5/c22-17-8-4-7-16(11-17)12-24-9-10-25(21(24)29)13-18(19(26)27)23-20(28)30-14-15-5-2-1-3-6-15/h1-11,18H,12-14H2,(H,23,28)(H,26,27)