[(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

Systemtic Name: [(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxyethylamino]-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Openeye Name: [(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxyethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]ethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester IUPAC Name: [(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethylamino]-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6R,8E,10S,12Z,14E)-21-[2-[3,4-dihydroxy-6-methylol-5-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxyethylamino]-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C42H63N3O19 MolecularWeight: 913.95832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCOC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H](C(/C=C(/[C@@H](C(/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCOC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C42H63N3O19/c1-18-12-22-29(44-10-11-60-40-36(55)34(53)38(28(17-47)62-40)63-41-35(54)33(52)32(51)27(16-46)61-41)24(48)15-23(31(22)50)45-39(56)19(2)8-7-9-25(58-5)37(64-42(43)57)21(4)14-20(3)30(49)26(13-18)59-6/h7-9,14-15,18,20,25-28,30,32-38,40-41,44,46-47,49,51-55H,10-13,16-17H2,1-6H3,(H2,43,57)(H,45,56)/b9-7-,19-8+,21-14+/t18-,20?,25?,26+,27?,28?,30-,32?,33?,34?,35?,36?,37+,38?,40?,41?/m1/s1