1-(dimethylamino)-6-[3-[2-[[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-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,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-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,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-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,10E,11S,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-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,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-3,5,7,9,11,13-hexamethyl-2-oxo-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,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-10-hydroximino-7,12,13-trihydroxy-2-keto-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: C55H89N5O18 MolecularWeight: 1108.31786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NO)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)O)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/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)O)C)C)O)(C)O

InChI

InChI=1S/C55H89N5O18/c1-16-40-55(10,69)46(63)31(4)42(57-70)29(2)26-53(8,68)47(77-51-44(62)39(58(11)12)24-30(3)73-51)32(5)45(33(6)50(66)75-40)76-41-27-54(9,71-15)48(34(7)74-41)78-52(67)56-21-23-72-22-17-18-35-19-20-38-36(25-35)43(61)37(49(64)65)28-60(38)59(13)14/h19-20,25,28-34,39-41,44-48,51,62-63,68-70H,16-18,21-24,26-27H2,1-15H3,(H,56,67)(H,64,65)/b57-42+/t29-,30-,31+,32+,33-,34+,39+,40-,41+,44-,45+,46-,47-,48+,51+,53-,54-,55-/m1/s1