2-trimethylsilylethyl N-[(1S,2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-6-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoylamino]methyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(2-trimethylsilylethoxycarbonylamino)oxan-2-yl]oxy-3-oxidanyl-5-(2-trimethylsilylethoxycarbonylamino)cyclohexyl]carbamate

Systemtic Name: 2-trimethylsilylethyl N-[(1S,2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-6-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoylamino]methyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(2-trimethylsilylethoxycarbonylamino)oxan-2-yl]oxy-3-oxidanyl-5-(2-trimethylsilylethoxycarbonylamino)cyclohexyl]carbamate Openeye Name: 2-trimethylsilylethyl N-[(1R,2S,3R,4S,5S)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-trimethylsilylethoxycarbonylamino)tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoylamino]methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-5-(2-trimethylsilylethoxycarbonylamino)cyclohexyl]carbamate CAS Name: N-[(1R,2S,3R,4S,5S)-2-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[oxo(2-trimethylsilylethoxy)methyl]amino]-2-oxanyl]oxy]-4-[[(2S,3R,4S,5S,6R)-6-[[[6-[[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-oxomethyl]amino]-1-oxohexyl]amino]methyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-3-hydroxy-5-[[oxo(2-trimethylsilylethoxy)methyl]amino]cyclohexyl]carbamic acid 2-trimethylsilylethyl ester IUPAC Name: 2-trimethylsilylethyl N-[(1R,2S,3R,4S,5S)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-trimethylsilylethoxycarbonylamino)oxan-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoylamino]methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxy-5-(2-trimethylsilylethoxycarbonylamino)cyclohexyl]carbamate Traditional Name: N-[(1R,2S,3R,4S,5S)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methylol-4-(2-trimethylsilylethoxycarbonylamino)tetrahydropyran-2-yl]oxy-4-[(2S,3R,4S,5S,6R)-6-[[6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoylamino]methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-5-(2-trimethylsilylethoxycarbonylamino)cyclohexyl]carbamic acid 2-trimethylsilylethyl ester Formula: C70H127N5O20Si3 MolecularWeight: 1443.03538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCCCC(=O)NCC5C(C(C(C(O5)OC6C(CC(C(C6O)OC7C(C(C(C(O7)CO)O)NC(=O)OCC[Si](C)(C)C)O)NC(=O)OCC[Si](C)(C)C)NC(=O)OCC[Si](C)(C)C)O)O)O)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCCCC(=O)NC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O[C@H]6[C@H](C[C@H]([C@@H]([C@H]6O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)NC(=O)OCC[Si](C)(C)C)O)NC(=O)OCC[Si](C)(C)C)NC(=O)OCC[Si](C)(C)C)O)O)O)C)C

InChI

InChI=1S/C70H127N5O20Si3/c1-41(2)19-18-20-42(3)46-24-25-47-45-23-22-43-37-44(26-28-69(43,4)48(45)27-29-70(46,47)5)91-65(84)71-30-17-15-16-21-53(77)72-39-51-56(79)58(81)59(82)64(92-51)95-62-50(74-67(86)89-32-35-97(9,10)11)38-49(73-66(85)88-31-34-96(6,7)8)61(60(62)83)94-63-57(80)54(55(78)52(40-76)93-63)75-68(87)90-33-36-98(12,13)14/h22,41-42,44-52,54-64,76,78-83H,15-21,23-40H2,1-14H3,(H,71,84)(H,72,77)(H,73,85)(H,74,86)(H,75,87)/t42-,44+,45+,46-,47+,48+,49-,50+,51-,52-,54+,55-,56-,57-,58+,59-,60-,61+,62+,63+,64+,69+,70-/m1/s1