2-[(E)-[(1R,2S,4R,6S,7R,8R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-3-ylidene]amino]oxy-N-(3-thiophen-2-ylpropyl)ethanamide

Systemtic Name: 2-[(E)-[(1R,2S,4R,6S,7R,8R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-3-ylidene]amino]oxy-N-(3-thiophen-2-ylpropyl)ethanamide Openeye Name: 2-[(E)-[(1R,2S,4R,6S,7R,8R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-3-ylidene]amino]oxy-N-[3-(2-thienyl)propyl]acetamide CAS Name: 2-[(E)-[(1R,2S,4R,6S,7R,8R,10R,13R,14R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-3-ylidene]amino]oxy-N-(3-thiophen-2-ylpropyl)acetamide IUPAC Name: 2-[(E)-[(1R,2S,4R,6S,7R,8R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-3-ylidene]amino]oxy-N-(3-thiophen-2-ylpropyl)acetamide Traditional Name: 2-[(E)-[(1R,2S,4R,6S,7R,8R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-3-ylidene]amino]oxy-N-[3-(2-thienyl)propyl]acetamide Formula: C40H63N3O12S MolecularWeight: 810.00612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=NOCC(=O)NCCCC3=CC=CS3)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](/C(=N/OCC(=O)NCCCC3=CC=CS3)/[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

InChI

InChI=1S/C40H63N3O12S/c1-12-29-40(8)35(54-38(48)55-40)24(4)31(42-50-21-30(44)41-17-13-15-27-16-14-18-56-27)22(2)20-39(7,49-11)34(25(5)32(45)26(6)36(47)52-29)53-37-33(46)28(43(9)10)19-23(3)51-37/h14,16,18,22-26,28-29,33-35,37,46H,12-13,15,17,19-21H2,1-11H3,(H,41,44)/b42-31+/t22-,23-,24+,25+,26-,28+,29-,33-,34-,35-,37+,39+,40-/m1/s1