5-[5-[3-[[(2R,4R,6S,7R,8R,10R,13R,14S)-7-[[(4S,6R)-4-(dimethylamino)-6-methyl-oxan-2-yl]methyl]-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]thiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: 5-[5-[3-[[(2R,4R,6S,7R,8R,10R,13R,14S)-7-[[(4S,6R)-4-(dimethylamino)-6-methyl-oxan-2-yl]methyl]-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]thiophen-2-yl]pyridine-3-carboxamide Openeye Name: 5-[5-[3-[[(2R,4R,6S,7R,8R,10R,13R,14S)-7-[[(4S,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]methyl]-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]-2-thienyl]pyridine-3-carboxamide CAS Name: 5-[5-[3-[[(2R,4R,6S,7R,8R,10R,13R,14S)-7-[[(4S,6R)-4-(dimethylamino)-6-methyl-2-oxanyl]methyl]-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]-2-thiophenyl]-3-pyridinecarboxamide IUPAC Name: 5-[5-[3-[[(2R,4R,6S,7R,8R,10R,13R,14S)-7-[[(4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]methyl]-13-ethyl-2,4,6,8,10,14-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]thiophen-2-yl]pyridine-3-carboxamide Traditional Name: 5-[5-[3-[[(2R,4R,6S,7R,8R,10R,13R,14S)-7-[[(4S,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]methyl]-13-ethyl-3,9,11,16-tetraketo-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-ynyl]-2-thienyl]nicotinamide Formula: C44H60N4O9S MolecularWeight: 821.0336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)CC3CC(CC(O3)C)N(C)C)(C)OCC#CC4=CC=C(S4)C5=CC(=CN=C5)C(=O)N)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2(C([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)CC3C[C@H](C[C@H](O3)C)N(C)C)(C)OCC#CC4=CC=C(S4)C5=CC(=CN=C5)C(=O)N)C)C)NC(=O)O2)C

InChI

InChI=1S/C44H60N4O9S/c1-11-36-44(8)39(47-42(53)57-44)27(5)37(49)24(2)21-43(7,54-16-12-13-33-14-15-35(58-33)29-18-30(40(45)51)23-46-22-29)34(26(4)38(50)28(6)41(52)56-36)20-32-19-31(48(9)10)17-25(3)55-32/h14-15,18,22-28,31-32,34,36,39H,11,16-17,19-21H2,1-10H3,(H2,45,51)(H,47,53)/t24-,25-,26-,27+,28-,31+,32?,34-,36-,39?,43+,44-/m1/s1