(2S)-4-[[5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]carbonylamino]-2-methoxy-butanoic acid

Systemtic Name: (2S)-4-[[5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]carbonylamino]-2-methoxy-butanoic acid Openeye Name: (2S)-4-[[5-[(Z)-(5-fluoro-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-methoxy-butanoic acid CAS Name: (2S)-4-[[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-oxomethyl]amino]-2-methoxybutanoic acid IUPAC Name: (2S)-4-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-methoxybutanoic acid Traditional Name: (2S)-4-[[5-[(Z)-(5-fluoro-2-keto-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]-2-methoxy-butyric acid Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)NCCC(C(=O)O)OC)C)C=C2C3=C(C=CC(=C3)F)NC2=O

Isomeric SMILES

CC1=C(NC(=C1C(=O)NCC[C@@H](C(=O)O)OC)C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O

InChI

InChI=1S/C21H22FN3O5/c1-10-16(9-14-13-8-12(22)4-5-15(13)25-19(14)26)24-11(2)18(10)20(27)23-7-6-17(30-3)21(28)29/h4-5,8-9,17,24H,6-7H2,1-3H3,(H,23,27)(H,25,26)(H,28,29)/b14-9-/t17-/m0/s1