[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-6,15-bis(oxidanylidene)-1-oxa-7-azacyclopentadec-13-yl] N-(4-nitrophenyl)carbamate

Systemtic Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-6,15-bis(oxidanylidene)-1-oxa-7-azacyclopentadec-13-yl] N-(4-nitrophenyl)carbamate Openeye Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] N-(4-nitrophenyl)carbamate CAS Name: N-(4-nitrophenyl)carbamic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] ester IUPAC Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] N-(4-nitrophenyl)carbamate Traditional Name: N-(4-nitrophenyl)carbamic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-6,15-diketo-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-7-azacyclopentadec-13-yl] ester Formula: C37H60N4O13 MolecularWeight: 768.8913

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)NC(CC(C(C(C(C(C(=O)O1)C)OC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)N[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C37H60N4O13/c1-12-27-37(8,47)30(43)23(6)32(44)38-19(2)18-36(7,50-11)31(54-34-28(42)26(40(9)10)17-20(3)51-34)21(4)29(22(5)33(45)52-27)53-35(46)39-24-13-15-25(16-14-24)41(48)49/h13-16,19-23,26-31,34,42-43,47H,12,17-18H2,1-11H3,(H,38,44)(H,39,46)/t19-,20-,21+,22-,23-,26+,27-,28-,29+,30-,31-,34+,36-,37-/m1/s1