(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3aR,4R,6R,7aS)-2-[3-(diethylamino)propylimino]-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-4-yl]oxy]-2-ethyl-10-methoxy-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-1-oxa-6-azacyclopentadecane-7,15-dione

Systemtic Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3aR,4R,6R,7aS)-2-[3-(diethylamino)propylimino]-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-4-yl]oxy]-2-ethyl-10-methoxy-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-1-oxa-6-azacyclopentadecane-7,15-dione Openeye Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3aR,4R,6R,7aS)-2-[3-(diethylamino)propylimino]-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d]oxazol-4-yl]oxy]-2-ethyl-3,4-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecane-7,15-dione CAS Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3aR,4R,6R,7aS)-2-[3-(diethylamino)propylimino]-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d]oxazol-4-yl]oxy]-2-ethyl-3,4-dihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecane-7,15-dione IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3aR,4R,6R,7aS)-2-[3-(diethylamino)propylimino]-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d][1,3]oxazol-4-yl]oxy]-2-ethyl-3,4-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecane-7,15-dione Traditional Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(3aR,4R,6R,7aS)-2-[3-(diethylamino)propylimino]-1,6-dimethyl-4,6,7,7a-tetrahydro-3aH-pyrano[4,3-d]oxazol-4-yl]oxy]-2-ethyl-3,4-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecane-7,15-quinone Formula: C45H82N4O13 MolecularWeight: 887.15158

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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)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C4C(CC(O3)C)N(C(=NCCCN(CC)CC)O4)C)(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)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@@H]3[C@H]4[C@H](C[C@H](O3)C)N(C(=NCCCN(CC)CC)O4)C)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C45H82N4O13/c1-16-32-45(12,54)36(50)29(8)47-39(52)25(4)23-44(11,56-15)38(27(6)34(28(7)40(53)59-32)60-33-24-43(10,55-14)37(51)30(9)58-33)62-41-35-31(22-26(5)57-41)48(13)42(61-35)46-20-19-21-49(17-2)18-3/h25-38,41,50-51,54H,16-24H2,1-15H3,(H,47,52)/t25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,38-,41-,43-,44-,45-/m1/s1