(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; N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

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; N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine Openeye Name: (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; N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine CAS Name: (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; N4-(6-methoxy-8-quinolinyl)pentane-1,4-diamine IUPAC Name: (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; 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)amine; (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: C33H54ClN5O6S MolecularWeight: 684.32976

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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.CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2

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.CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2

InChI

InChI=1S/C18H33ClN2O5S.C15H21N3O/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;1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);4,6,8-11,18H,3,5,7,16H2,1-2H3/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1