[(1R,2R,4R,5R,6S,7S,8R,11S,13S,14S)-13-azanyl-5-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-2,4,6,8,12,14-hexamethyl-4-oxidanyl-9-oxidanylidene-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl] N-[(4-methylphenyl)methyl]carbamate

Systemtic Name: [(1R,2R,4R,5R,6S,7S,8R,11S,13S,14S)-13-azanyl-5-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-2,4,6,8,12,14-hexamethyl-4-oxidanyl-9-oxidanylidene-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl] N-[(4-methylphenyl)methyl]carbamate Openeye Name: [(1R,2R,4R,5R,6S,7S,8R,11S,13S,14S)-13-amino-5-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4-hydroxy-2,4,6,8,12,14-hexamethyl-9-oxo-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl] N-(p-tolylmethyl)carbamate CAS Name: N-[(4-methylphenyl)methyl]carbamic acid [(1R,2R,4R,5R,6S,7S,8R,11S,13S,14S)-13-amino-5-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4-hydroxy-2,4,6,8,12,14-hexamethyl-9-oxo-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl] ester IUPAC Name: [(1R,2R,4R,5R,6S,7S,8R,11S,13S,14S)-13-amino-5-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4-hydroxy-2,4,6,8,12,14-hexamethyl-9-oxo-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl] N-[(4-methylphenyl)methyl]carbamate Traditional Name: N-(4-methylbenzyl)carbamic acid [(1R,2R,4R,5R,6S,7S,8R,11S,13S,14S)-13-amino-5-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4-hydroxy-9-keto-2,4,6,8,12,14-hexamethyl-10,15-dioxabicyclo[10.2.1]pentadecan-7-yl] ester Formula: C38H63N3O9 MolecularWeight: 705.92152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(O2)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)NCC3=CC=C(C=C3)C)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)N)C

Isomeric SMILES

CC[C@H]1C2([C@H]([C@@H]([C@H](O2)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)NCC3=CC=C(C=C3)C)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)N)C

InChI

InChI=1S/C38H63N3O9/c1-12-28-38(9)32(39)23(5)30(50-38)21(3)18-37(8,45)33(49-35-29(42)27(41(10)11)17-22(4)46-35)24(6)31(25(7)34(43)47-28)48-36(44)40-19-26-15-13-20(2)14-16-26/h13-16,21-25,27-33,35,42,45H,12,17-19,39H2,1-11H3,(H,40,44)/t21-,22-,23-,24+,25-,27+,28+,29-,30-,31+,32+,33-,35?,37-,38?/m1/s1