(2S,4R)-N-[(1S,2S)-2-chloranyl-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide; phenylcarbonyl benzenecarboperoxoate

Systemtic Name: (2S,4R)-N-[(1S,2S)-2-chloranyl-1-[(2R,3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide; phenylcarbonyl benzenecarboperoxoate Openeye Name: benzoyl benzenecarboperoxoate; (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide CAS Name: benzenecarboperoxoic acid benzoyl ester; (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-1-methyl-4-propyl-2-pyrrolidinecarboxamide IUPAC Name: benzoyl benzenecarboperoxoate; (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide Traditional Name: benzenecarboperoxoic acid benzoyl ester; (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide Formula: C32H43ClN2O9S MolecularWeight: 667.20982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H33ClN2O5S.C14H10O4/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1-10H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1