2-[4-azanyl-3,5-dimethyl-2-(1,3-oxazol-4-ylmethyl)-6-phenyl-phenyl]-4-oxidanylidene-2-pyrrol-1-yl-pentanoic acid

Systemtic Name: 2-[4-azanyl-3,5-dimethyl-2-(1,3-oxazol-4-ylmethyl)-6-phenyl-phenyl]-4-oxidanylidene-2-pyrrol-1-yl-pentanoic acid Openeye Name: 2-[4-amino-3,5-dimethyl-2-(oxazol-4-ylmethyl)-6-phenyl-phenyl]-4-oxo-2-pyrrol-1-yl-pentanoic acid CAS Name: 2-[4-amino-3,5-dimethyl-2-(4-oxazolylmethyl)-6-phenylphenyl]-4-oxo-2-(1-pyrrolyl)pentanoic acid IUPAC Name: 2-[4-amino-3,5-dimethyl-2-(1,3-oxazol-4-ylmethyl)-6-phenylphenyl]-4-oxo-2-pyrrol-1-ylpentanoic acid Traditional Name: 2-[4-amino-3,5-dimethyl-2-(oxazol-4-ylmethyl)-6-phenyl-phenyl]-4-keto-2-pyrrol-1-yl-valeric acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C)C2=CC=CC=C2)C(CC(=O)C)(C(=O)O)N3C=CC=C3)CC4=COC=N4

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C)C2=CC=CC=C2)C(CC(=O)C)(C(=O)O)N3C=CC=C3)CC4=COC=N4

InChI

InChI=1S/C27H27N3O4/c1-17(31)14-27(26(32)33,30-11-7-8-12-30)24-22(13-21-15-34-16-29-21)18(2)25(28)19(3)23(24)20-9-5-4-6-10-20/h4-12,15-16H,13-14,28H2,1-3H3,(H,32,33)