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

Systemtic Name: methyl 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-yl]methyl]phenoxy]-2-fluoranyl-phenyl]propanoate Openeye Name: methyl 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[(2,4-dioxothiazolidin-5-yl)methyl]phenoxy]-2-fluoro-phenyl]propanoate CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-[4-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]-2-fluorophenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-2-fluorophenyl]propanoate Traditional Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-[4-[4-[(2,4-diketothiazolidin-5-yl)methyl]phenoxy]-2-fluoro-phenyl]propionic acid methyl ester Formula: C26H26FN5O6S MolecularWeight: 555.577943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(C=C(C=C1)OC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)F)NC(=O)C(CC4=CN=CN4)N

Isomeric SMILES

COC(=O)C(CC1=C(C=C(C=C1)OC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)F)NC(=O)C(CC4=CN=CN4)N

InChI

InChI=1S/C26H26FN5O6S/c1-37-25(35)21(31-23(33)20(28)10-16-12-29-13-30-16)9-15-4-7-18(11-19(15)27)38-17-5-2-14(3-6-17)8-22-24(34)32-26(36)39-22/h2-7,11-13,20-22H,8-10,28H2,1H3,(H,29,30)(H,31,33)(H,32,34,36)