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

Systemtic Name: 2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]butanedioic acid Traditional Name: 2-[[4-hydroxy-4-keto-2-(tyrosylamino)butanoyl]amino]succinic acid Formula: C17H21N3O9 MolecularWeight: 411.36334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O9/c18-10(5-8-1-3-9(21)4-2-8)15(26)19-11(6-13(22)23)16(27)20-12(17(28)29)7-14(24)25/h1-4,10-12,21H,5-7,18H2,(H,19,26)(H,20,27)(H,22,23)(H,24,25)(H,28,29)