2,5-bis(azanyl)-3-[2-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)phenyl]-4-oxidanylidene-heptanedioic acid

Systemtic Name: 2,5-bis(azanyl)-3-[2-(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)phenyl]-4-oxidanylidene-heptanedioic acid Openeye Name: 2,5-diamino-3-[2-(2-amino-4-hydroxy-4-oxo-butanoyl)phenyl]-4-oxo-heptanedioic acid CAS Name: 2,5-diamino-3-[2-(2-amino-4-hydroxy-1,4-dioxobutyl)phenyl]-4-oxoheptanedioic acid IUPAC Name: 2,5-diamino-3-[2-(2-amino-4-hydroxy-4-oxobutanoyl)phenyl]-4-oxoheptanedioic acid Traditional Name: 2,5-diamino-3-[2-(2-amino-4-hydroxy-4-keto-butanoyl)phenyl]-4-keto-pimelic acid Formula: C17H21N3O8 MolecularWeight: 395.36394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O8/c18-9(5-11(21)22)15(25)8-4-2-1-3-7(8)13(14(20)17(27)28)16(26)10(19)6-12(23)24/h1-4,9-10,13-14H,5-6,18-20H2,(H,21,22)(H,23,24)(H,27,28)