3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-3-(tyrosylamino)butyric acid Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O

InChI

InChI=1S/C22H25N3O8/c23-16(9-12-1-5-14(26)6-2-12)20(30)24-17(11-19(28)29)21(31)25-18(22(32)33)10-13-3-7-15(27)8-4-13/h1-8,16-18,26-27H,9-11,23H2,(H,24,30)(H,25,31)(H,28,29)(H,32,33)