(2S,5R)-N-[(1S,2S)-2-chloranyl-1-[(3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-5-(3-methoxypropyl)azepane-2-carboxamide

Systemtic Name: (2S,5R)-N-[(1S,2S)-2-chloranyl-1-[(3R,4S,5R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-5-(3-methoxypropyl)azepane-2-carboxamide Openeye Name: (2S,5R)-N-[(1S,2S)-2-chloro-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-5-(3-methoxypropyl)azepane-2-carboxamide CAS Name: (2S,5R)-N-[(1S,2S)-2-chloro-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-5-(3-methoxypropyl)-2-azepanecarboxamide IUPAC Name: (2S,5R)-N-[(1S,2S)-2-chloro-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-5-(3-methoxypropyl)azepane-2-carboxamide Traditional Name: (2S,5R)-N-[(1S,2S)-2-chloro-1-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-5-(3-methoxypropyl)azepane-2-carboxamide Formula: C20H37ClN2O6S MolecularWeight: 469.03558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1C(C(C(C(O1)SC)O)O)O)NC(=O)C2CCC(CCN2)CCCOC)Cl

Isomeric SMILES

C[C@@H]([C@H](C1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)[C@@H]2CC[C@@H](CCN2)CCCOC)Cl

InChI

InChI=1S/C20H37ClN2O6S/c1-11(21)14(18-16(25)15(24)17(26)20(29-18)30-3)23-19(27)13-7-6-12(8-9-22-13)5-4-10-28-2/h11-18,20,22,24-26H,4-10H2,1-3H3,(H,23,27)/t11-,12-,13-,14+,15-,16+,17+,18?,20+/m0/s1