N-[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl]-N,4-dimethylbenzenesulfonamide

CAS: 612069-31-5

Formula: C44H76N2O14S

SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)S(=O)(=O)C2=CC=C(C)C=C2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O

IUPAC: N-[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl]-N,4-dimethylbenzene-1-sulfonamide

InChI: InChI=1S/C44H76N2O14S/c1-15-33-44(11,52)37(48)29(7)45(12)23-25(3)21-42(9,51)39(27(5)36(28(6)40(50)58-33)59-34-22-43(10,55-14)38(49)30(8)57-34)60-41-35(47)32(20-26(4)56-41)46(13)61(53,54)31-18-16-24(2)17-19-31/h16-19,25-30,32-39,41,47-49,51-52H,15,20-23H2,

Composition: C (59.44%), H (8.62%), N (3.15%), O (25.19%), S (3.61%)

Molar Mass: 889.15

Atom Count: 137

Heavy Atom Count: 61