2-acetamido-5-[[(2S)-3-(2-methyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-acetamido-5-[[(2S)-3-(2-methyl-4-oxidanyl-phenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-[[(1S)-2-hydroxy-1-[(4-hydroxy-2-methyl-phenyl)methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-[[(2S)-1-hydroxy-3-(4-hydroxy-2-methylphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-[[(2S)-1-hydroxy-3-(4-hydroxy-2-methylphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-acetamido-5-[[(1S)-2-hydroxy-1-(4-hydroxy-2-methyl-benzyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)CC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)O)C[C@@H](C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C17H22N2O7/c1-9-7-12(21)4-3-11(9)8-14(17(25)26)19-15(22)6-5-13(16(23)24)18-10(2)20/h3-4,7,13-14,21H,5-6,8H2,1-2H3,(H,18,20)(H,19,22)(H,23,24)(H,25,26)/t13?,14-/m0/s1