[(3S,5S,6S,7S,8E,10S,11R,12Z,14E)-21-[3-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]butanoylamino]propylamino]-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: [(3S,5S,6S,7S,8E,10S,11R,12Z,14E)-21-[3-[4-[2,5-bis(oxidanylidene)pyrrol-1-yl]butanoylamino]propylamino]-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: [(3S,5S,6S,7S,8E,10S,11R,12Z,14E)-21-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propylamino]-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 [(3S,5S,6S,7S,8E,10S,11R,12Z,14E)-21-[3-[[4-(2,5-dioxo-1-pyrrolyl)-1-oxobutyl]amino]propylamino]-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: [(3S,5S,6S,7S,8E,10S,11R,12Z,14E)-21-[3-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]propylamino]-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 [(3S,5S,6S,7S,8E,10S,11R,12Z,14E)-6-hydroxy-16,20,22-triketo-21-[3-(4-maleimidobutanoylamino)propylamino]-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: C39H53N5O11 MolecularWeight: 767.86502

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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)NCCCNC(=O)CCCN3C(=O)C=CC3=O)C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCNC(=O)CCCN3C(=O)C=CC3=O)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C39H53N5O11/c1-22-18-26-34(42-16-9-15-41-31(46)12-8-17-44-32(47)13-14-33(44)48)28(45)21-27(36(26)50)43-38(51)23(2)10-7-11-29(53-5)37(55-39(40)52)25(4)20-24(3)35(49)30(19-22)54-6/h7,10-11,13-14,20-22,24,29-30,35,37,42,49H,8-9,12,15-19H2,1-6H3,(H2,40,52)(H,41,46)(H,43,51)/b11-7-,23-10+,25-20+/t22-,24-,29+,30-,35-,37-/m0/s1