2-trimethylsilylethyl (E,3S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]oxy-7-octanoylsulfanyl-hept-4-enoate

Systemtic Name: 2-trimethylsilylethyl (E,3S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]oxy-7-octanoylsulfanyl-hept-4-enoate Openeye Name: 2-trimethylsilylethyl (E,3S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]oxy-7-octanoylsulfanyl-hept-4-enoate CAS Name: (E,3S)-3-[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-methyl-1-oxobutoxy]-7-(1-oxooctylthio)-4-heptenoic acid 2-trimethylsilylethyl ester IUPAC Name: 2-trimethylsilylethyl (E,3S)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]oxy-7-octanoylsulfanylhept-4-enoate Traditional Name: (E,3S)-7-(caprylylthio)-3-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butanoyl]oxy-hept-4-enoic acid 2-trimethylsilylethyl ester Formula: C40H57NO7SSi MolecularWeight: 724.03358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SCCC=CC(CC(=O)OCC[Si](C)(C)C)OC(=O)C(C(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Isomeric SMILES

CCCCCCCC(=O)SCC/C=C/[C@H](CC(=O)OCC[Si](C)(C)C)OC(=O)[C@H](C(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C40H57NO7SSi/c1-7-8-9-10-11-23-37(43)49-25-17-16-18-30(27-36(42)46-24-26-50(4,5)6)48-39(44)38(29(2)3)41-40(45)47-28-35-33-21-14-12-19-31(33)32-20-13-15-22-34(32)35/h12-16,18-22,29-30,35,38H,7-11,17,23-28H2,1-6H3,(H,41,45)/b18-16+/t30-,38+/m1/s1