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

Systemtic Name: 2-[[3-[4-(1-benzothiophen-3-ylmethoxy)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[4-(benzothiophen-3-ylmethoxy)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[4-(1-benzothiophen-3-ylmethoxy)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[4-(1-benzothiophen-3-ylmethoxy)phenyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[4-(benzothiophen-3-ylmethoxy)benzyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)OCC2=CSC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CC=C(C=C1)OCC2=CSC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C24H27NO5S/c1-15(2)11-20(23(26)27)25-21(24(28)29)12-16-7-9-18(10-8-16)30-13-17-14-31-22-6-4-3-5-19(17)22/h3-10,14-15,20-21,25H,11-13H2,1-2H3,(H,26,27)(H,28,29)