2-methyl-3-[4-[(2S)-1-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butyl)amino]propan-2-yl]phenyl]propanoic acid

Systemtic Name: 2-methyl-3-[4-[(2S)-1-oxidanylidene-1-[(4-oxidanyl-4-oxidanylidene-butyl)amino]propan-2-yl]phenyl]propanoic acid Openeye Name: 3-[4-[(1S)-2-[(4-hydroxy-4-oxo-butyl)amino]-1-methyl-2-oxo-ethyl]phenyl]-2-methyl-propanoic acid CAS Name: 3-[4-[(2S)-1-[(4-hydroxy-4-oxobutyl)amino]-1-oxopropan-2-yl]phenyl]-2-methylpropanoic acid IUPAC Name: 3-[4-[(2S)-1-[(4-hydroxy-4-oxobutyl)amino]-1-oxopropan-2-yl]phenyl]-2-methylpropanoic acid Traditional Name: 3-[4-[(1S)-2-[(4-hydroxy-4-keto-butyl)amino]-2-keto-1-methyl-ethyl]phenyl]-2-methyl-propionic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)C(=O)NCCCC(=O)O)C(=O)O

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C(=O)O)C(=O)NCCCC(=O)O

InChI

InChI=1S/C17H23NO5/c1-11(17(22)23)10-13-5-7-14(8-6-13)12(2)16(21)18-9-3-4-15(19)20/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/t11?,12-/m0/s1