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

Systemtic Name: 3-azanyl-4-[[1-[[3-(4-hydroxyphenyl)-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[1-(4-hydroxybenzyl)-2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C21H30N4O8S MolecularWeight: 498.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O8S/c1-10(2)17(25-18(29)13(22)8-16(27)28)20(31)23-14(7-11-3-5-12(26)6-4-11)19(30)24-15(9-34)21(32)33/h3-6,10,13-15,17,26,34H,7-9,22H2,1-2H3,(H,23,31)(H,24,30)(H,25,29)(H,27,28)(H,32,33)