2-azanyl-5-[[3-[4-ethoxy-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-ethoxy-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-ethoxy-3-oxo-propyl)sulfanylmethyl]-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[(4-ethoxy-1-hydroxy-1,4-dioxobutan-2-yl)thio]-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-(4-ethoxy-1-hydroxy-1,4-dioxobutan-2-yl)sulfanyl-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[(1-carboxy-3-ethoxy-3-keto-propyl)thio]methyl]-2-hydroxy-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C14H22N2O9S MolecularWeight: 394.39748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O9S/c1-2-25-11(18)5-9(14(23)24)26-6-8(13(21)22)16-10(17)4-3-7(15)12(19)20/h7-9H,2-6,15H2,1H3,(H,16,17)(H,19,20)(H,21,22)(H,23,24)