(2R,3S,4R,11S,13S,14R)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-3,14-dimethyl-N-(3-methylphenyl)sulfonyl-3,4,13-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadecane-6-carboxamide

Systemtic Name: (2R,3S,4R,11S,13S,14R)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-3,14-dimethyl-N-(3-methylphenyl)sulfonyl-3,4,13-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadecane-6-carboxamide Openeye Name: (2R,3S,4R,11S,13S,14R)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,13-trihydroxy-3,14-dimethyl-N-(m-tolylsulfonyl)-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide CAS Name: (2R,3S,4R,11S,13S,14R)-11-[[(2S,4R,6R)-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,13-trihydroxy-3,14-dimethyl-N-(3-methylphenyl)sulfonyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide IUPAC Name: (2R,3S,4R,11S,13S,14R)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,13-trihydroxy-3,14-dimethyl-N-(3-methylphenyl)sulfonyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide Traditional Name: (2R,3S,4R,11S,13S,14R)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,13-trihydroxy-15-keto-3,14-dimethyl-N-(m-tolylsulfonyl)-1-oxa-6-azacyclopentadecane-6-carboxamide Formula: C33H55N3O10S MolecularWeight: 685.8689

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(CN(CCCCC(CC(C(C(=O)O1)C)O)OC2CC(CC(O2)C)N(C)C)C(=O)NS(=O)(=O)C3=CC=CC(=C3)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H](CN(CCCC[C@@H](C[C@@H]([C@H](C(=O)O1)C)O)O[C@H]2C[C@@H](C[C@H](O2)C)N(C)C)C(=O)NS(=O)(=O)C3=CC=CC(=C3)C)O)(C)O

InChI

InChI=1S/C33H55N3O10S/c1-8-29-33(5,41)28(38)20-36(32(40)34-47(42,43)26-14-11-12-21(2)16-26)15-10-9-13-25(19-27(37)23(4)31(39)46-29)45-30-18-24(35(6)7)17-22(3)44-30/h11-12,14,16,22-25,27-30,37-38,41H,8-10,13,15,17-20H2,1-7H3,(H,34,40)/t22-,23-,24-,25+,27+,28-,29-,30+,33+/m1/s1