1-(dimethylamino)-6-[2-[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]oxyethylamino]ethylsulfanyl]-4-oxidanylidene-1,7-naphthyridine-3-carboxylic acid

Systemtic Name: 1-(dimethylamino)-6-[2-[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]oxyethylamino]ethylsulfanyl]-4-oxidanylidene-1,7-naphthyridine-3-carboxylic acid Openeye Name: 1-(dimethylamino)-6-[2-[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]oxyethylamino]ethylsulfanyl]-4-oxo-1,7-naphthyridine-3-carboxylic acid CAS Name: 1-(dimethylamino)-6-[2-[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]ethylamino]ethylthio]-4-oxo-1,7-naphthyridine-3-carboxylic acid IUPAC Name: 1-(dimethylamino)-6-[2-[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]oxyethylamino]ethylsulfanyl]-4-oxo-1,7-naphthyridine-3-carboxylic acid Traditional Name: 1-(dimethylamino)-6-[2-[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]oxyethylamino]ethylthio]-4-keto-1,7-naphthyridine-3-carboxylic acid Formula: C53H87N5O16S MolecularWeight: 1082.34678

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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)OCCNCCSC3=NC=C4C(=C3)C(=O)C(=CN4N(C)C)C(=O)O)(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)OCCNCCSC3=NC=C4C(=C3)C(=O)C(=CN4N(C)C)C(=O)O)(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/C53H87N5O16S/c1-17-38-53(10,66)45(62)30(4)41(59)28(2)24-51(8,67-15)46(74-50-43(61)36(56(11)12)22-29(3)70-50)31(5)44(32(6)49(65)72-38)73-40-25-52(9,68-16)47(33(7)71-40)69-20-18-54-19-21-75-39-23-34-37(26-55-39)58(57(13)14)27-35(42(34)60)48(63)64/h23,26-33,36,38,40,43-47,50,54,61-62,66H,17-22,24-25H2,1-16H3,(H,63,64)/t28-,29-,30+,31+,32-,33+,36+,38-,40+,43-,44+,45-,46-,47+,50+,51-,52-,53-/m1/s1