2-trimethylsilylethyl (E,3S)-3-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-7-octanoylsulfanyl-hept-4-enoate

Systemtic Name: 2-trimethylsilylethyl (E,3S)-3-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-7-octanoylsulfanyl-hept-4-enoate Openeye Name: 2-trimethylsilylethyl (E,3S)-3-[(2S)-2-amino-3-methyl-butanoyl]oxy-7-octanoylsulfanyl-hept-4-enoate CAS Name: (E,3S)-3-[(2S)-2-amino-3-methyl-1-oxobutoxy]-7-(1-oxooctylthio)-4-heptenoic acid 2-trimethylsilylethyl ester IUPAC Name: 2-trimethylsilylethyl (E,3S)-3-[(2S)-2-amino-3-methylbutanoyl]oxy-7-octanoylsulfanylhept-4-enoate Traditional Name: (E,3S)-3-[(2S)-2-amino-3-methyl-butanoyl]oxy-7-(caprylylthio)hept-4-enoic acid 2-trimethylsilylethyl ester Formula: C25H47NO5SSi MolecularWeight: 501.79488

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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)N

Isomeric SMILES

CCCCCCCC(=O)SCC/C=C/[C@H](CC(=O)OCC[Si](C)(C)C)OC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C25H47NO5SSi/c1-7-8-9-10-11-15-23(28)32-17-13-12-14-21(31-25(29)24(26)20(2)3)19-22(27)30-16-18-33(4,5)6/h12,14,20-21,24H,7-11,13,15-19,26H2,1-6H3/b14-12+/t21-,24+/m1/s1