3-[[(2R)-2-[4,4-dimethyl-2,5-bis(oxidanylidene)-3-[[4-[(E)-2-phenylethenyl]phenyl]methyl]imidazolidin-1-yl]-4-methyl-pentanoyl]amino]-3-(2-fluorophenyl)propanoic acid

Systemtic Name: 3-[[(2R)-2-[4,4-dimethyl-2,5-bis(oxidanylidene)-3-[[4-[(E)-2-phenylethenyl]phenyl]methyl]imidazolidin-1-yl]-4-methyl-pentanoyl]amino]-3-(2-fluorophenyl)propanoic acid Openeye Name: 3-[[(2R)-2-[4,4-dimethyl-2,5-dioxo-3-[[4-[(E)-styryl]phenyl]methyl]imidazolidin-1-yl]-4-methyl-pentanoyl]amino]-3-(2-fluorophenyl)propanoic acid CAS Name: 3-[[(2R)-2-[4,4-dimethyl-2,5-dioxo-3-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1-imidazolidinyl]-4-methyl-1-oxopentyl]amino]-3-(2-fluorophenyl)propanoic acid IUPAC Name: 3-[[(2R)-2-[4,4-dimethyl-2,5-dioxo-3-[[4-[(E)-2-phenylethenyl]phenyl]methyl]imidazolidin-1-yl]-4-methylpentanoyl]amino]-3-(2-fluorophenyl)propanoic acid Traditional Name: 3-[[(2R)-2-[2,5-diketo-4,4-dimethyl-3-[4-[(E)-styryl]benzyl]imidazolidin-1-yl]-4-methyl-pentanoyl]amino]-3-(2-fluorophenyl)propionic acid Formula: C35H38FN3O5 MolecularWeight: 599.691723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C1=CC=CC=C1F)N2C(=O)C(N(C2=O)CC3=CC=C(C=C3)C=CC4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)NC(CC(=O)O)C1=CC=CC=C1F)N2C(=O)C(N(C2=O)CC3=CC=C(C=C3)/C=C/C4=CC=CC=C4)(C)C

InChI

InChI=1S/C35H38FN3O5/c1-23(2)20-30(32(42)37-29(21-31(40)41)27-12-8-9-13-28(27)36)39-33(43)35(3,4)38(34(39)44)22-26-18-16-25(17-19-26)15-14-24-10-6-5-7-11-24/h5-19,23,29-30H,20-22H2,1-4H3,(H,37,42)(H,40,41)/b15-14+/t29?,30-/m1/s1