(phenylmethyl) (2S,4R)-1-[(2S,9R)-9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecan-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,4R)-1-[(2S,9R)-9-(ethanoylsulfanylmethyl)-10-oxidanylidene-azecan-2-yl]carbonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxo-azecane-2-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-[[(2S,9R)-9-[(acetylthio)methyl]-10-oxo-2-azecanyl]-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4R)-1-[(2S,9R)-9-(acetylsulfanylmethyl)-10-oxoazecane-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-[(2S,9R)-9-[(acetylthio)methyl]-10-keto-azecane-2-carbonyl]-4-hydroxy-pyrrolidine-2-carboxylic acid benzyl ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1CCCCCCC(NC1=O)C(=O)N2CC(CC2C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)SC[C@@H]1CCCCCC[C@H](NC1=O)C(=O)N2C[C@@H](C[C@H]2C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C25H34N2O6S/c1-17(28)34-16-19-11-7-2-3-8-12-21(26-23(19)30)24(31)27-14-20(29)13-22(27)25(32)33-15-18-9-5-4-6-10-18/h4-6,9-10,19-22,29H,2-3,7-8,11-16H2,1H3,(H,26,30)/t19-,20+,21-,22-/m0/s1