2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]methyl]phenoxy]-3-fluoranyl-phenyl]propanoic acid

Systemtic Name: 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]methyl]phenoxy]-3-fluoranyl-phenyl]propanoic acid Openeye Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[(2,4-dioxothiazolidin-5-yl)methyl]phenoxy]-3-fluoro-phenyl]propanoic acid CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-[4-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]-3-fluorophenyl]propanoic acid IUPAC Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-fluorophenyl]propanoic acid Traditional Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[(2,4-diketothiazolidin-5-yl)methyl]phenoxy]-3-fluoro-phenyl]propionic acid Formula: C25H24FN5O6S MolecularWeight: 541.551363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2C(=O)NC(=O)S2)OC3=C(C=C(C=C3)CC(C(=O)O)NC(=O)C(CC4=CN=CN4)N)F

Isomeric SMILES

C1=CC(=CC=C1CC2C(=O)NC(=O)S2)OC3=C(C=C(C=C3)CC(C(=O)O)NC(=O)C(CC4=CN=CN4)N)F

InChI

InChI=1S/C25H24FN5O6S/c26-17-7-14(8-19(24(34)35)30-22(32)18(27)10-15-11-28-12-29-15)3-6-20(17)37-16-4-1-13(2-5-16)9-21-23(33)31-25(36)38-21/h1-7,11-12,18-19,21H,8-10,27H2,(H,28,29)(H,30,32)(H,34,35)(H,31,33,36)