[(2S,3S,4R)-6-[[(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-4-(3-phenylmethoxypropanoyloxy)-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] 3,3-dimethyl-7-oxidanylidene-6-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: [(2S,3S,4R)-6-[[(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-4-(3-phenylmethoxypropanoyloxy)-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] 3,3-dimethyl-7-oxidanylidene-6-[(3-oxidanylidene-2-phenyl-3-phenylmethoxy-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: [(2S,3S,4R)-6-[[(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-4-(3-benzyloxypropanoyloxy)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,10-dihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] 6-[(3-benzyloxy-3-oxo-2-phenyl-propanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[(1,3-dioxo-2-phenyl-3-phenylmethoxypropyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [(2S,3S,4R)-6-[[(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,4S,6R)-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2-ethyl-3,10-dihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-4-(1-oxo-3-phenylmethoxypropoxy)-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R)-6-[[(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-4-(3-phenylmethoxypropanoyloxy)-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] 3,3-dimethyl-7-oxo-6-[(3-oxo-2-phenyl-3-phenylmethoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[(3-benzoxy-3-keto-2-phenyl-propanoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [(2S,3S,4R)-6-[[(2R,3S,4S,5R,8R,10R,11R,12S,13S,14R)-4-(3-benzoxypropanoyloxy)-11-[(2S,4S,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,10-dihydroxy-15-keto-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C72H104N4O18S MolecularWeight: 1345.67716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C3C(SC4N3C(=O)C4NC(=O)C(C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)(C)C)(C)OC)C)OC7CC(CC(O7)C)N(C)C)(C)O)C)C)C)OC(=O)CCOCC8=CC=CC=C8)(C)O

Isomeric SMILES

CC[C@@H]1[C@]([C@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC2C[C@@]([C@H]([C@@H](O2)C)OC(=O)C3C(SC4N3C(=O)C4NC(=O)C(C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)(C)C)(C)OC)C)O[C@H]7C[C@H](C[C@H](O7)C)N(C)C)(C)O)C)C)C)OC(=O)CCOCC8=CC=CC=C8)(C)O

InChI

InChI=1S/C72H104N4O18S/c1-17-52-72(12,84)61(91-53(77)33-34-86-40-48-27-21-18-22-28-48)46(6)75(15)39-42(2)37-70(10,83)60(93-54-36-51(74(13)14)35-43(3)88-54)44(4)58(45(5)66(80)90-52)92-55-38-71(11,85-16)62(47(7)89-55)94-68(82)59-69(8,9)95-65-57(64(79)76(59)65)73-63(78)56(50-31-25-20-26-32-50)67(81)87-41-49-29-23-19-24-30-49/h18-32,42-47,51-52,54-62,65,83-84H,17,33-41H2,1-16H3,(H,73,78)/t42-,43-,44+,45-,46-,47+,51+,52-,54+,55?,56?,57?,58+,59?,60-,61+,62+,65?,70-,71-,72+/m1/s1