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

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[[1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]propan-2-yl]amino]propan-2-yl]amino]butanoic acid Openeye Name: 3-amino-4-[[2-[[1-(hydroxymethyl)-2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[3-hydroxy-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[3-hydroxy-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[2-[[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-4-keto-butyric acid Formula: C13H22N4O8S MolecularWeight: 394.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CO)C(=O)NC(CS)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C13H22N4O8S/c1-5(15-11(22)6(14)2-9(19)20)10(21)16-7(3-18)12(23)17-8(4-26)13(24)25/h5-8,18,26H,2-4,14H2,1H3,(H,15,22)(H,16,21)(H,17,23)(H,19,20)(H,24,25)