4-[[(2S)-2-(1-benzothiophen-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-N-(2-fluorophenyl)-3-oxidanylidene-azepane-1-carboxamide

Systemtic Name: 4-[[(2S)-2-(1-benzothiophen-2-ylcarbonylamino)-4-methyl-pentanoyl]amino]-N-(2-fluorophenyl)-3-oxidanylidene-azepane-1-carboxamide Openeye Name: 4-[[(2S)-2-(benzothiophene-2-carbonylamino)-4-methyl-pentanoyl]amino]-N-(2-fluorophenyl)-3-oxo-azepane-1-carboxamide CAS Name: 4-[[(2S)-2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-4-methyl-1-oxopentyl]amino]-N-(2-fluorophenyl)-3-oxo-1-azepanecarboxamide IUPAC Name: 4-[[(2S)-2-(1-benzothiophene-2-carbonylamino)-4-methylpentanoyl]amino]-N-(2-fluorophenyl)-3-oxoazepane-1-carboxamide Traditional Name: 4-[[(2S)-2-(benzothiophene-2-carbonylamino)-4-methyl-pentanoyl]amino]-N-(2-fluorophenyl)-3-keto-azepane-1-carboxamide Formula: C28H31FN4O4S MolecularWeight: 538.633543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)C(=O)NC2=CC=CC=C2F)NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1=O)C(=O)NC2=CC=CC=C2F)NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C28H31FN4O4S/c1-17(2)14-22(31-27(36)25-15-18-8-3-6-12-24(18)38-25)26(35)30-21-11-7-13-33(16-23(21)34)28(37)32-20-10-5-4-9-19(20)29/h3-6,8-10,12,15,17,21-22H,7,11,13-14,16H2,1-2H3,(H,30,35)(H,31,36)(H,32,37)/t21?,22-/m0/s1