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

Systemtic Name: 2-acetamido-5-[[(2S)-3-[2-methyl-3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-[[(1S)-1-[(3,4-dihydroxy-2-methyl-phenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-[[(2S)-3-(3,4-dihydroxy-2-methylphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-[[(2S)-3-(3,4-dihydroxy-2-methylphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-acetamido-5-[[(1S)-1-(3,4-dihydroxy-2-methyl-benzyl)-2-hydroxy-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)O)CC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1O)O)C[C@@H](C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C17H22N2O8/c1-8-10(3-5-13(21)15(8)23)7-12(17(26)27)19-14(22)6-4-11(16(24)25)18-9(2)20/h3,5,11-12,21,23H,4,6-7H2,1-2H3,(H,18,20)(H,19,22)(H,24,25)(H,26,27)/t11?,12-/m0/s1