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1-(dimethylamino)-6-[3-[[3-[(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]oxy-3-oxidanylidene-propyl]amino]propyl]-4-oxidanylidene-quinoline-3-carboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name:	1-(dimethylamino)-6-[3-[[3-[(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]oxy-3-oxidanylidene-propyl]amino]propyl]-4-oxidanylidene-quinoline-3-carboxylic acid; 2-oxidanylpropane-1,2,3-tricarboxylic acid
Openeye Name:	citric acid; 1-(dimethylamino)-6-[3-[[3-[(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]oxy-3-oxo-propyl]amino]propyl]-4-oxo-quinoline-3-carboxylic acid
CAS Name:	1-(dimethylamino)-6-[3-[[3-[[(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]-3-oxopropyl]amino]propyl]-4-oxo-3-quinolinecarboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid
IUPAC Name:	1-(dimethylamino)-6-[3-[[3-[(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]oxy-3-oxopropyl]amino]propyl]-4-oxoquinoline-3-carboxylic acid; 2-hydroxypropane-1,2,3-tricarboxylic acid
Traditional Name:	citric acid; 1-(dimethylamino)-6-[3-[[3-[(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]oxy-3-keto-propyl]amino]propyl]-4-keto-quinoline-3-carboxylic acid
Formula:	C₆₂H₉₈N₄O₂₄
MolecularWeight:	1283.45392

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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)CCNCCCC3=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.C(C(=O)O)C(CC(=O)O)(C(=O)O)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)CCNCCCC3=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.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C56H90N4O17.C6H8O7/c1-17-41-56(10,69)48(65)32(4)44(62)30(2)27-54(8,70-15)49(77-53-46(64)40(58(11)12)25-31(3)72-53)33(5)47(34(6)52(68)74-41)76-43-28-55(9,71-16)50(35(7)73-43)75-42(61)22-24-57-23-18-19-36-20-21-39-37(26-36)45(63)38(51(66)67)29-60(39)59(13)14;7-3(8)1-6(13,5(11)12)2-4(9)10/h20-21,26,29-35,40-41,43,46-50,53,57,64-65,69H,17-19,22-25,27-28H2,1-16H3,(H,66,67);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t30-,31-,32+,33+,34-,35+,40+,41-,43+,46-,47+,48-,49-,50+,53+,54-,55-,56-;/m1./s1

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