[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-[3,5-bis(fluoranyl)phenyl]carbamate

Systemtic Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-[3,5-bis(fluoranyl)phenyl]carbamate Openeye Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-(3,5-difluorophenyl)carbamate CAS Name: N-(3,5-difluorophenyl)carbamic acid [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester IUPAC Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-(3,5-difluorophenyl)carbamate Traditional Name: N-(3,5-difluorophenyl)carbamic acid [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-8,16-diketo-11-(2-ketoethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester Formula: C38H54F2N2O11 MolecularWeight: 752.838966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)C)COC(=O)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)COC(=O)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C38H54F2N2O11/c1-8-31-25(19-50-38(49)41-28-16-26(39)15-27(40)17-28)13-20(2)9-10-29(44)21(3)14-24(11-12-43)36(22(4)30(45)18-32(46)52-31)53-37-35(48)33(42(6)7)34(47)23(5)51-37/h9-10,12-13,15-17,21-25,30-31,33-37,45,47-48H,8,11,14,18-19H2,1-7H3,(H,41,49)/b10-9+,20-13+/t21-,22+,23-,24+,25-,30-,31-,33+,34-,35-,36-,37+/m1/s1