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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]pentanedioic acid Traditional Name: 2-[[4-hydroxy-4-keto-2-(tyrosylamino)butanoyl]amino]glutaric acid Formula: C18H23N3O9 MolecularWeight: 425.38992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O9/c19-11(7-9-1-3-10(22)4-2-9)16(27)21-13(8-15(25)26)17(28)20-12(18(29)30)5-6-14(23)24/h1-4,11-13,22H,5-8,19H2,(H,20,28)(H,21,27)(H,23,24)(H,25,26)(H,29,30)