2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]glutaric acid Formula: C19H25N3O9 MolecularWeight: 439.4165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)N)O

InChI

InChI=1S/C19H25N3O9/c20-12(5-7-15(24)25)17(28)22-14(9-10-1-3-11(23)4-2-10)18(29)21-13(19(30)31)6-8-16(26)27/h1-4,12-14,23H,5-9,20H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)