(E,2R,3R,4S,5R)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)-N-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)non-6-enamide

Systemtic Name: (E,2R,3R,4S,5R)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)-N-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)non-6-enamide Openeye Name: (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)non-6-enamide CAS Name: (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)-6-nonenamide IUPAC Name: (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)non-6-enamide Traditional Name: (E,2R,3R,4S,5R)-3,4,5-trihydroxy-N-(4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)-2-methoxy-8,8-dimethyl-non-6-enamide Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CC(C(C(C(C(=O)NC1CSC2=CC=CC=C2NC1=O)OC)O)O)O

Isomeric SMILES

CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1CSC2=CC=CC=C2NC1=O)OC)O)O)O

InChI

InChI=1S/C21H30N2O6S/c1-21(2,3)10-9-14(24)16(25)17(26)18(29-4)20(28)23-13-11-30-15-8-6-5-7-12(15)22-19(13)27/h5-10,13-14,16-18,24-26H,11H2,1-4H3,(H,22,27)(H,23,28)/b10-9+/t13?,14-,16+,17-,18-/m1/s1