[[4-[[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-aminocarbonyloxy-21-(azetidin-1-yl)-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl]oxy]-4-oxidanylidene-butyl]amino]-methoxy-boron

Systemtic Name: [[4-[[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-10-aminocarbonyloxy-21-(azetidin-1-yl)-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-6-yl]oxy]-4-oxidanylidene-butyl]amino]-methoxy-boron Openeye Name: [[4-[[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-1-yl)-10-carbamoyloxy-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-6-yl]oxy]-4-oxo-butyl]amino]-methoxy-boron CAS Name: [[4-[[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(1-azetidinyl)-10-carbamoyloxy-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-6-yl]oxy]-4-oxobutyl]amino]-methoxyboron IUPAC Name: [[4-[[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-1-yl)-10-carbamoyloxy-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-6-yl]oxy]-4-oxobutyl]amino]-methoxyboron Traditional Name: [[4-[[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-1-yl)-10-carbamoyloxy-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-6-yl]oxy]-4-keto-butyl]amino]-methoxy-boron Formula: C36H52BN4O10 MolecularWeight: 711.62988

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Descriptors Computed from Structure

Canonical SMILES:

[B](NCCCC(=O)OC1C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C2=O)CC(CC1OC)C)N3CCC3)C)OC)OC(=O)N)C)C)OC

Isomeric SMILES

[B](NCCCC(=O)O[C@@H]1[C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C2=O)C[C@H](C[C@@H]1OC)C)N3CCC3)/C)OC)OC(=O)N)\C)C)OC

InChI

InChI=1S/C36H52BN4O10/c1-21-17-25-31(41-15-10-16-41)27(42)20-26(32(25)44)40-35(45)22(2)11-8-12-28(47-5)33(51-36(38)46)23(3)19-24(4)34(29(18-21)48-6)50-30(43)13-9-14-39-37-49-7/h8,11-12,19-21,24,28-29,33-34,39H,9-10,13-18H2,1-7H3,(H2,38,46)(H,40,45)/b12-8-,22-11+,23-19+/t21-,24+,28+,29+,33+,34-/m1/s1