N-[(Z)-[(2R,3S,4R,5S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-12-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-3,4,9-tris(oxidanyl)-14-oxidanylidene-1-oxacyclotetradec-6-ylidene]amino]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(Z)-[(2R,3S,4R,5S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-12-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-3,4,9-tris(oxidanyl)-14-oxidanylidene-1-oxacyclotetradec-6-ylidene]amino]-4-methyl-benzenesulfonamide Openeye Name: N-[(Z)-[(2R,3S,4R,5S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]amino]-4-methyl-benzenesulfonamide CAS Name: N-[(Z)-[(2R,3S,4R,5S,7R,9R,10R,11S,12S,13R)-10-[[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,9-trihydroxy-12-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]amino]-4-methylbenzenesulfonamide IUPAC Name: N-[(Z)-[(2R,3S,4R,5S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]amino]-4-methylbenzenesulfonamide Traditional Name: N-[(Z)-[(2R,3S,4R,5S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-14-keto-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-ylidene]amino]-4-methyl-benzenesulfonamide Formula: C44H75N3O14S MolecularWeight: 902.143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NNS(=O)(=O)C2=CC=C(C=C2)C)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\NS(=O)(=O)C2=CC=C(C=C2)C)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@@H]4[C@H]([C@@H](C[C@@H](O4)C)N(C)C)O)(C)O)C)C)O)(C)O

InChI

InChI=1S/C44H75N3O14S/c1-15-32-44(11,53)37(49)26(5)34(45-46-62(54,55)30-18-16-23(2)17-19-30)24(3)21-42(9,52)39(61-41-35(48)31(47(12)13)20-25(4)57-41)27(6)36(28(7)40(51)59-32)60-33-22-43(10,56-14)38(50)29(8)58-33/h16-19,24-29,31-33,35-39,41,46,48-50,52-53H,15,20-22H2,1-14H3/b45-34-/t24-,25+,26+,27+,28-,29+,31-,32-,33+,35+,36+,37-,38+,39-,41-,42-,43-,44-/m1/s1