2-[[3-[4-(1-benzothiophen-3-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[4-(1-benzothiophen-3-yl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[4-(benzothiophen-3-yl)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[4-(1-benzothiophen-3-yl)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[4-(1-benzothiophen-3-yl)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[4-(benzothiophen-3-yl)benzyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)C2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)C2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C23H25NO4S/c1-14(2)11-19(22(25)26)24-20(23(27)28)12-15-7-9-16(10-8-15)18-13-29-21-6-4-3-5-17(18)21/h3-10,13-14,19-20,24H,11-12H2,1-2H3,(H,25,26)(H,27,28)