[(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(3S,4R,6S)-4-[cyclopropylmethyl(methyl)amino]-3-methoxy-6-methyl-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] 2-pyridin-4-ylethanoate

Systemtic Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(3S,4R,6S)-4-[cyclopropylmethyl(methyl)amino]-3-methoxy-6-methyl-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] 2-pyridin-4-ylethanoate Openeye Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(3S,4R,6S)-4-[cyclopropylmethyl(methyl)amino]-3-methoxy-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] 2-(4-pyridyl)acetate CAS Name: 2-pyridin-4-ylacetic acid [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[[(3S,4R,6S)-4-[cyclopropylmethyl(methyl)amino]-3-methoxy-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] ester IUPAC Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(3S,4R,6S)-4-[cyclopropylmethyl(methyl)amino]-3-methoxy-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] 2-pyridin-4-ylacetate Traditional Name: 2-(4-pyridyl)acetic acid [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-6-[(3S,4R,6S)-4-[cyclopropylmethyl(methyl)amino]-3-methoxy-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] ester Formula: C41H66N2O11 MolecularWeight: 762.96954

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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)OC(=O)CC2=CC=NC=C2)C)OC3C(C(CC(O3)C)N(C)CC4CC4)OC)(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)OC(=O)CC2=CC=NC=C2)C)OC3[C@H]([C@@H](C[C@@H](O3)C)N(C)CC4CC4)OC)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C41H66N2O11/c1-12-31-41(8,48)36(46)25(4)33(45)23(2)21-40(7,50-11)37(54-39-35(49-10)30(19-24(3)51-39)43(9)22-29-13-14-29)26(5)34(27(6)38(47)52-31)53-32(44)20-28-15-17-42-18-16-28/h15-18,23-27,29-31,34-37,39,46,48H,12-14,19-22H2,1-11H3/t23-,24+,25-,26+,27-,30-,31-,34+,35+,36-,37-,39?,40-,41-/m1/s1