(2S)-2-[[4-[(4E)-4-(furan-2-ylmethylidene)-5-oxidanylidene-2-phenyl-imidazol-1-yl]phenyl]carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[[4-[(4E)-4-(furan-2-ylmethylidene)-5-oxidanylidene-2-phenyl-imidazol-1-yl]phenyl]carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[[4-[(4E)-4-(2-furylmethylene)-5-oxo-2-phenyl-imidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[[4-[(4E)-4-(2-furanylmethylidene)-5-oxo-2-phenyl-1-imidazolyl]phenyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[[4-[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[4-[(4E)-4-(2-furfurylidene)-5-keto-2-phenyl-2-imidazolin-1-yl]benzoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C27H21N5O5 MolecularWeight: 495.48614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C(=O)N2C4=CC=C(C=C4)C(=O)NC(CC5=CN=CN5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C/C3=CC=CO3)/C(=O)N2C4=CC=C(C=C4)C(=O)N[C@@H](CC5=CN=CN5)C(=O)O

InChI

InChI=1S/C27H21N5O5/c33-25(31-23(27(35)36)13-19-15-28-16-29-19)18-8-10-20(11-9-18)32-24(17-5-2-1-3-6-17)30-22(26(32)34)14-21-7-4-12-37-21/h1-12,14-16,23H,13H2,(H,28,29)(H,31,33)(H,35,36)/b22-14+/t23-/m0/s1