2-[[2-(4-fluorophenyl)-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(4-fluorophenyl)-4-oxidanylidene-1-thiophen-2-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(4-fluorophenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-(4-fluorophenyl)-4-oxo-1-[oxo(thiophen-2-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-7-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(4-fluorophenyl)-4-oxo-1-(thiophene-2-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(4-fluorophenyl)-4-keto-1-(2-thenoyl)-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl]amino]-4-methyl-valeric acid Formula: C27H26FN3O5S MolecularWeight: 523.575843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(CC(=O)N2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H26FN3O5S/c1-15(2)12-20(27(35)36)30-25(33)17-7-10-21-19(13-17)29-24(32)14-22(16-5-8-18(28)9-6-16)31(21)26(34)23-4-3-11-37-23/h3-11,13,15,20,22H,12,14H2,1-2H3,(H,29,32)(H,30,33)(H,35,36)