2-azanyl-5-[[3-[4-methoxy-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[4-methoxy-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]sulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[(1-carboxy-3-methoxy-3-oxo-propyl)sulfanylmethyl]-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-hydroxy-3-[(1-hydroxy-4-methoxy-1,4-dioxobutan-2-yl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-hydroxy-3-(1-hydroxy-4-methoxy-1,4-dioxobutan-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[(1-carboxy-3-keto-3-methoxy-propyl)thio]methyl]-2-hydroxy-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C13H20N2O9S MolecularWeight: 380.3709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)O)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

COC(=O)CC(C(=O)O)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C13H20N2O9S/c1-24-10(17)4-8(13(22)23)25-5-7(12(20)21)15-9(16)3-2-6(14)11(18)19/h6-8H,2-5,14H2,1H3,(H,15,16)(H,18,19)(H,20,21)(H,22,23)