3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-4-oxidanylidene-2-propan-2-yl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-4-oxidanylidene-2-propan-2-yl-butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-2-isopropyl-4-oxo-butanoyl]amino]-5-fluoro-4-oxo-pentanoic acid CAS Name: 3-[[(2S)-4-(11-benzo[b][1]benzazepinyl)-1,4-dioxo-2-propan-2-ylbutyl]amino]-5-fluoro-4-oxopentanoic acid IUPAC Name: 3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-4-oxo-2-propan-2-ylbutanoyl]amino]-5-fluoro-4-oxopentanoic acid Traditional Name: 3-[[(2S)-4-benzo[b][1]benzazepin-11-yl-2-isopropyl-4-keto-butanoyl]amino]-5-fluoro-4-keto-valeric acid Formula: C26H27FN2O5 MolecularWeight: 466.501383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31)C(=O)NC(CC(=O)O)C(=O)CF

Isomeric SMILES

CC(C)[C@H](CC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31)C(=O)NC(CC(=O)O)C(=O)CF

InChI

InChI=1S/C26H27FN2O5/c1-16(2)19(26(34)28-20(14-25(32)33)23(30)15-27)13-24(31)29-21-9-5-3-7-17(21)11-12-18-8-4-6-10-22(18)29/h3-12,16,19-20H,13-15H2,1-2H3,(H,28,34)(H,32,33)/t19-,20?/m0/s1