[(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-pyridin-3-ylethanoate

Systemtic Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-pyridin-3-ylethanoate Openeye Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-(3-pyridyl)acetate CAS Name: 2-(3-pyridinyl)acetic acid [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-6-[[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]-2-oxanyl]oxy]-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)-14-ethyl-12,13-dihydroxy-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-pyridin-3-ylacetate Traditional Name: 2-(3-pyridyl)acetic acid [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(propargyl)amino]tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl] ester Formula: C40H62N2O11 MolecularWeight: 746.92708

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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=CN=CC=C2)C)OC3C(C(CC(O3)C)N(C)CC#C)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=CN=CC=C2)C)OC3[C@H]([C@@H](C[C@@H](O3)C)N(C)CC#C)OC)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C40H62N2O11/c1-13-18-42(10)29-19-24(4)50-38(34(29)48-11)53-36-26(6)33(52-31(43)20-28-16-15-17-41-22-28)27(7)37(46)51-30(14-2)40(9,47)35(45)25(5)32(44)23(3)21-39(36,8)49-12/h1,15-17,22-27,29-30,33-36,38,45,47H,14,18-21H2,2-12H3/t23-,24+,25-,26+,27-,29-,30-,33+,34+,35-,36-,38?,39-,40-/m1/s1