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

Systemtic Name: 3-[2-(2-azanylpropanoylamino)propanoylamino]-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]butanoic acid Openeye Name: 3-[2-(2-aminopropanoylamino)propanoylamino]-4-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-4-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[2-(2-aminopropanoylamino)propanoylamino]-4-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[2-(alanylamino)propanoylamino]-4-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-4-keto-butyric acid Formula: C13H22N4O7S MolecularWeight: 378.40138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O7S/c1-5(14)10(20)15-6(2)11(21)16-7(3-9(18)19)12(22)17-8(4-25)13(23)24/h5-8,25H,3-4,14H2,1-2H3,(H,15,20)(H,16,21)(H,17,22)(H,18,19)(H,23,24)