2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-valeric acid Formula: C22H31N3O8 MolecularWeight: 465.49684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O8/c1-12(2)10-18(22(32)33)25-20(30)16(8-9-19(28)29)24-21(31)17(23-13(3)26)11-14-4-6-15(27)7-5-14/h4-7,12,16-18,27H,8-11H2,1-3H3,(H,23,26)(H,24,31)(H,25,30)(H,28,29)(H,32,33)