2-[[3-[5-(1-benzothiophen-2-ylcarbonylamino)pyridin-2-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[5-(1-benzothiophen-2-ylcarbonylamino)pyridin-2-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[[5-(benzothiophene-2-carbonylamino)-2-pyridyl]methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[5-[[1-benzothiophen-2-yl(oxo)methyl]amino]-2-pyridinyl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[5-(1-benzothiophene-2-carbonylamino)pyridin-2-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[[5-(benzothiophene-2-carbonylamino)-2-pyridyl]methyl]-2-hydroxy-2-keto-ethyl]amino]-4-methyl-valeric acid Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=NC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=NC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C23H25N3O5S/c1-13(2)9-17(22(28)29)26-18(23(30)31)11-15-7-8-16(12-24-15)25-21(27)20-10-14-5-3-4-6-19(14)32-20/h3-8,10,12-13,17-18,26H,9,11H2,1-2H3,(H,25,27)(H,28,29)(H,30,31)