3-[2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]carbamoylamino]-2-oxidanylidene-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonylamino]phenyl]carbamoylamino]-2-oxidanylidene-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]carbamoylamino]-2-oxo-indolin-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2,4-dimethyl-5-[(Z)-[6-[[[3-[[[3-(4-methyl-1-imidazolyl)-5-(trifluoromethyl)phenyl]-oxomethyl]amino]anilino]-oxomethyl]amino]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2,4-dimethyl-5-[(Z)-[6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(Z)-[2-keto-6-[[3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]carbamoylamino]indolin-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid Formula: C37H32F3N7O5 MolecularWeight: 711.68909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC5=C(C=C4)C(=CC6=C(C(=C(N6)C)CCC(=O)O)C)C(=O)N5

Isomeric SMILES

CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC5=C(C=C4)/C(=C/C6=C(C(=C(N6)C)CCC(=O)O)C)/C(=O)N5

InChI

InChI=1S/C37H32F3N7O5/c1-19-17-47(18-41-19)27-12-22(11-23(13-27)37(38,39)40)34(50)43-24-5-4-6-25(14-24)44-36(52)45-26-7-8-29-30(35(51)46-32(29)15-26)16-31-20(2)28(21(3)42-31)9-10-33(48)49/h4-8,11-18,42H,9-10H2,1-3H3,(H,43,50)(H,46,51)(H,48,49)(H2,44,45,52)/b30-16-