[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7,15-bis(oxidanylidene)-1-oxa-6-azacyclopentadec-13-yl] 3-(2-diethylaminoethylamino)propanoate

Systemtic Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-7,15-bis(oxidanylidene)-1-oxa-6-azacyclopentadec-13-yl] 3-(2-diethylaminoethylamino)propanoate Openeye Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] 3-(2-diethylaminoethylamino)propanoate CAS Name: 3-(2-diethylaminoethylamino)propanoic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] ester IUPAC Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-7,15-dioxo-1-oxa-6-azacyclopentadec-13-yl] 3-(2-diethylaminoethylamino)propanoate Traditional Name: 3-(2-diethylaminoethylamino)propionic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-7,15-diketo-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-13-yl] ester Formula: C39H74N4O11 MolecularWeight: 775.02506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(NC(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CCNCCN(CC)CC)C)OC2C(C(CC(O2)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](NC(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCNCCN(CC)CC)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C39H74N4O11/c1-14-29-39(10,49)33(46)27(8)41-35(47)23(4)22-38(9,50-13)34(54-37-31(45)28(42(11)12)21-24(5)51-37)25(6)32(26(7)36(48)52-29)53-30(44)17-18-40-19-20-43(15-2)16-3/h23-29,31-34,37,40,45-46,49H,14-22H2,1-13H3,(H,41,47)/t23-,24-,25+,26-,27-,28+,29-,31-,32+,33-,34-,37+,38-,39-/m1/s1