[(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-azanyl-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] N-[2-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]carbamate

Systemtic Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-azanyl-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] N-[2-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]carbamate Openeye Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] N-[2-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]carbamate CAS Name: N-[2-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]carbamic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[2-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]carbamate Traditional Name: N-[2-[ethyl-[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]carbamic acid [(2S,3S,4R,6R)-6-[[(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C51H90N4O14 MolecularWeight: 983.2787

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)NCCN(CC)C(C)C3=CC=CC=C3OC)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)N)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H]([C@H]([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)OC(=O)NCCN(CC)[C@@H](C)C3=CC=CC=C3OC)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)N)C)O)(C)O

InChI

InChI=1S/C51H90N4O14/c1-17-38-51(12,61)43(57)30(5)40(52)28(3)26-49(10,60)44(68-47-41(56)36(54(13)14)25-29(4)64-47)31(6)42(32(7)46(58)66-38)67-39-27-50(11,63-16)45(34(9)65-39)69-48(59)53-23-24-55(18-2)33(8)35-21-19-20-22-37(35)62-15/h19-22,28-34,36,38-45,47,56-57,60-61H,17-18,23-27,52H2,1-16H3,(H,53,59)/t28-,29-,30+,31+,32-,33+,34+,36+,38-,39+,40+,41-,42+,43-,44-,45+,47+,49-,50-,51-/m1/s1