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

Systemtic Name: 3-azanyl-4-[[3-(4-hydroxyphenyl)-1-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-[[1-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]-2-hydroxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[3-hydroxy-1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[3-hydroxy-1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-[[1-[[1-carboxy-3-(methylthio)propyl]carbamoyl]-2-hydroxy-propyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C22H32N4O9S MolecularWeight: 528.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H32N4O9S/c1-11(27)18(21(33)24-15(22(34)35)7-8-36-2)26-20(32)16(9-12-3-5-13(28)6-4-12)25-19(31)14(23)10-17(29)30/h3-6,11,14-16,18,27-28H,7-10,23H2,1-2H3,(H,24,33)(H,25,31)(H,26,32)(H,29,30)(H,34,35)