4-methyl-2-[[4-oxidanyl-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[4-oxidanyl-4-oxidanylidene-2-(3-phenylpropanoylamino)butanoyl]amino]pentanoic acid Openeye Name: 2-[[4-hydroxy-4-oxo-2-(3-phenylpropanoylamino)butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-hydroxy-1,4-dioxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-hydroxy-4-oxo-2-(3-phenylpropanoylamino)butanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(hydrocinnamoylamino)-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C19H26N2O6/c1-12(2)10-15(19(26)27)21-18(25)14(11-17(23)24)20-16(22)9-8-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,20,22)(H,21,25)(H,23,24)(H,26,27)