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

Systemtic Name: 3-(2-azanylpropanoylamino)-4-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-(2-aminopropanoylamino)-4-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-1-oxopropyl)amino]-4-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-(2-aminopropanoylamino)-4-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-(alanylamino)-4-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C16H21N3O7 MolecularWeight: 367.35384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O7/c1-8(17)14(23)18-11(7-13(21)22)15(24)19-12(16(25)26)6-9-2-4-10(20)5-3-9/h2-5,8,11-12,20H,6-7,17H2,1H3,(H,18,23)(H,19,24)(H,21,22)(H,25,26)