(2R,3S,4R,11S,13S,14R)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-2-ethyl-3,14-dimethyl-3,4,13-tris(oxidanyl)-15-oxidanylidene-N-(phenylsulfonyl)-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-3,4,13-tris(oxidanyl)-15-oxidanylidene-N-(phenylsulfonyl)-1-oxa-6-azacyclopentadecane-6-carboxamide Openeye Name: (2R,3S,4R,11S,13S,14R)-N-(benzenesulfonyl)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,13-trihydroxy-3,14-dimethyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide CAS Name: (2R,3S,4R,11S,13S,14R)-N-(benzenesulfonyl)-11-[[(2S,4R,6R)-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,13-trihydroxy-3,14-dimethyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide IUPAC Name: (2R,3S,4R,11S,13S,14R)-N-(benzenesulfonyl)-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,13-trihydroxy-3,14-dimethyl-15-oxo-1-oxa-6-azacyclopentadecane-6-carboxamide Traditional Name: (2R,3S,4R,11S,13S,14R)-N-besyl-11-[(2S,4R,6R)-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,13-trihydroxy-15-keto-3,14-dimethyl-1-oxa-6-azacyclopentadecane-6-carboxamide Formula: C32H53N3O10S MolecularWeight: 671.84232

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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)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)O)(C)O

InChI

InChI=1S/C32H53N3O10S/c1-7-28-32(4,40)27(37)20-35(31(39)33-46(41,42)25-14-9-8-10-15-25)16-12-11-13-24(19-26(36)22(3)30(38)45-28)44-29-18-23(34(5)6)17-21(2)43-29/h8-10,14-15,21-24,26-29,36-37,40H,7,11-13,16-20H2,1-6H3,(H,33,39)/t21-,22-,23-,24+,26+,27-,28-,29+,32+/m1/s1