1-(dimethylamino)-6-[3-[2-[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxycarbonylamino]ethoxy]propyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(dimethylamino)-6-[3-[2-[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxycarbonylamino]ethoxy]propyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(dimethylamino)-6-[3-[2-[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxycarbonylamino]ethoxy]propyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(dimethylamino)-6-[3-[2-[[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl]oxy-oxomethyl]amino]ethoxy]propyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(dimethylamino)-6-[3-[2-[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl]oxycarbonylamino]ethoxy]propyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(dimethylamino)-6-[3-[2-[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl]oxycarbonylamino]ethoxy]propyl]-4-keto-quinoline-3-carboxylic acid Formula: C56H90N4O18 MolecularWeight: 1107.3298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)NCCOCCCC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)N(C)C)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=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)OC(=O)NCCOCCCC3=CC4=C(C=C3)N(C=C(C4=O)C(=O)O)N(C)C)(C)OC)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C56H90N4O18/c1-17-41-56(10,69)47(64)32(4)43(61)30(2)27-54(8,70-15)48(77-52-45(63)40(58(11)12)25-31(3)73-52)33(5)46(34(6)51(67)75-41)76-42-28-55(9,71-16)49(35(7)74-42)78-53(68)57-22-24-72-23-18-19-36-20-21-39-37(26-36)44(62)38(50(65)66)29-60(39)59(13)14/h20-21,26,29-35,40-42,45-49,52,63-64,69H,17-19,22-25,27-28H2,1-16H3,(H,57,68)(H,65,66)/t30-,31-,32+,33+,34-,35+,40+,41-,42+,45-,46+,47-,48-,49+,52+,54-,55-,56-/m1/s1