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

Systemtic Name: 3-azanyl-4-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-[[2-hydroxy-1-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-[(1,3-dihydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-(4-hydroxybenzyl)-2-[[2-hydroxy-1-[(2-hydroxy-2-keto-1-methylol-ethyl)carbamoyl]propyl]amino]-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C20H28N4O10 MolecularWeight: 484.45712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CO)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)O)N)O

Isomeric SMILES

CC(C(C(=O)NC(CO)C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)O)N)O

InChI

InChI=1S/C20H28N4O10/c1-9(26)16(19(32)23-14(8-25)20(33)34)24-18(31)13(6-10-2-4-11(27)5-3-10)22-17(30)12(21)7-15(28)29/h2-5,9,12-14,16,25-27H,6-8,21H2,1H3,(H,22,30)(H,23,32)(H,24,31)(H,28,29)(H,33,34)