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

Systemtic Name: 4-[[3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid CAS Name: 4-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[[1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxo-3-[(3-phenyl-2-sulfanylpropanoyl)amino]butanoic acid Traditional Name: 4-[[2-hydroxy-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]butyric acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)S

InChI

InChI=1S/C22H24N2O7S/c25-15-8-6-14(7-9-15)10-17(22(30)31)24-20(28)16(12-19(26)27)23-21(29)18(32)11-13-4-2-1-3-5-13/h1-9,16-18,25,32H,10-12H2,(H,23,29)(H,24,28)(H,26,27)(H,30,31)