4-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-6-ethoxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 4-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-6-ethoxy-6-oxidanylidene-hexanoic acid Openeye Name: 4-[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-hydroxy-3-oxo-propyl]sulfanyl-6-ethoxy-6-oxo-hexanoic acid CAS Name: 4-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-hydroxy-3-oxopropyl]thio]-6-ethoxy-6-oxohexanoic acid IUPAC Name: 4-[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-hydroxy-3-oxopropyl]sulfanyl-6-ethoxy-6-oxohexanoic acid Traditional Name: 4-[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-hydroxy-3-keto-propyl]thio]-6-ethoxy-6-keto-hexanoic acid Formula: C16H26N2O9S MolecularWeight: 422.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O9S/c1-2-27-14(22)7-9(3-6-13(20)21)28-8-11(16(25)26)18-12(19)5-4-10(17)15(23)24/h9-11H,2-8,17H2,1H3,(H,18,19)(H,20,21)(H,23,24)(H,25,26)