(2R,5E,8R,9S,10S,11E)-2-[(2S)-butan-2-yl]-10-[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoyl]oxy-5,9,11-trimethyl-8-(2-methylsulfanylethyl)-4-oxidanylidene-tetradeca-5,11-dienoic acid

Systemtic Name: (2R,5E,8R,9S,10S,11E)-2-[(2S)-butan-2-yl]-10-[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoyl]oxy-5,9,11-trimethyl-8-(2-methylsulfanylethyl)-4-oxidanylidene-tetradeca-5,11-dienoic acid Openeye Name: (2R,5E,8R,9S,10S,11E)-10-[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoyl]oxy-5,9,11-trimethyl-2-[(1S)-1-methylpropyl]-8-(2-methylsulfanylethyl)-4-oxo-tetradeca-5,11-dienoic acid CAS Name: (2R,5E,8R,9S,10S,11E)-2-[(2S)-butan-2-yl]-10-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-methylamino]-1-oxopropoxy]-5,9,11-trimethyl-8-[2-(methylthio)ethyl]-4-oxotetradeca-5,11-dienoic acid IUPAC Name: (2R,5E,8R,9S,10S,11E)-2-[(2S)-butan-2-yl]-10-[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoyl]oxy-5,9,11-trimethyl-8-(2-methylsulfanylethyl)-4-oxotetradeca-5,11-dienoic acid Traditional Name: (2R,5E,8R,9S,10S,11E)-10-[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoyl]oxy-4-keto-5,9,11-trimethyl-2-[(1S)-1-methylpropyl]-8-[2-(methylthio)ethyl]tetradeca-5,11-dienoic acid Formula: C43H59NO7S MolecularWeight: 733.99606

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)C(C(C)C(CCSC)CC=C(C)C(=O)CC(C(C)CC)C(=O)O)OC(=O)C(C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

CC/C=C(\C)/[C@H]([C@@H](C)[C@@H](CCSC)C/C=C(\C)/C(=O)C[C@H]([C@@H](C)CC)C(=O)O)OC(=O)[C@H](C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C43H59NO7S/c1-10-16-29(5)40(30(6)32(23-24-52-9)22-21-28(4)39(45)25-37(41(46)47)27(3)11-2)51-42(48)31(7)44(8)43(49)50-26-38-35-19-14-12-17-33(35)34-18-13-15-20-36(34)38/h12-21,27,30-32,37-38,40H,10-11,22-26H2,1-9H3,(H,46,47)/b28-21+,29-16+/t27-,30-,31-,32+,37+,40+/m0/s1