N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]-3-phenyl-propanamide

Systemtic Name: N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]-3-phenyl-propanamide Openeye Name: N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]-3-phenyl-propanamide CAS Name: N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]-3-phenylpropanamide IUPAC Name: N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]-3-phenylpropanamide Traditional Name: N-[(1R,2S,4R,6R,7R,8R,10R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3,9,11,16-tetraketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-17-yl]-3-phenyl-propionamide Formula: C40H61N3O11 MolecularWeight: 759.92584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)NC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C40H61N3O11/c1-12-29-40(8)34(43(38(49)54-40)41-30(44)19-18-27-16-14-13-15-17-27)24(4)31(45)22(2)21-39(7,50-11)35(25(5)32(46)26(6)36(48)52-29)53-37-33(47)28(42(9)10)20-23(3)51-37/h13-17,22-26,28-29,33-35,37,47H,12,18-21H2,1-11H3,(H,41,44)/t22-,23-,24-,25+,26-,28+,29+,33-,34-,35-,37+,39-,40-/m1/s1