2-[(4-aminophenyl)methyl-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]pentanedioic acid

Systemtic Name: 2-[(4-aminophenyl)methyl-(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]pentanedioic acid Openeye Name: 2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)-[(4-aminophenyl)methyl]amino]pentanedioic acid CAS Name: 2-[(2-amino-5-hydroxy-1,5-dioxopentyl)-[(4-aminophenyl)methyl]amino]pentanedioic acid IUPAC Name: 2-[(2-amino-5-hydroxy-5-oxopentanoyl)-[(4-aminophenyl)methyl]amino]pentanedioic acid Traditional Name: 2-[(4-aminobenzyl)-(2-amino-5-hydroxy-5-keto-pentanoyl)amino]glutaric acid Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C(CCC(=O)O)C(=O)O)C(=O)C(CCC(=O)O)N)N

Isomeric SMILES

C1=CC(=CC=C1CN(C(CCC(=O)O)C(=O)O)C(=O)C(CCC(=O)O)N)N

InChI

InChI=1S/C17H23N3O7/c18-11-3-1-10(2-4-11)9-20(13(17(26)27)6-8-15(23)24)16(25)12(19)5-7-14(21)22/h1-4,12-13H,5-9,18-19H2,(H,21,22)(H,23,24)(H,26,27)