1-[9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecan-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecan-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[9-(acetylsulfanylmethyl)-10-oxo-azecane-2-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[[9-[(acetylthio)methyl]-10-oxo-2-azecanyl]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-[9-[(acetylthio)methyl]-10-keto-azecane-2-carbonyl]-4-hydroxy-proline Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)N2CC(CC2C(=O)O)O

Isomeric SMILES

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)N2CC(CC2C(=O)O)O

InChI

InChI=1S/C18H28N2O6S/c1-11(21)27-10-12-6-4-2-3-5-7-14(19-16(12)23)17(24)20-9-13(22)8-15(20)18(25)26/h12-15,22H,2-10H2,1H3,(H,19,23)(H,25,26)