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

Systemtic Name: tert-butyl (E,3S)-3-[(2S)-2-azanyl-3-methyl-butanoyl]oxy-7-octanoylsulfanyl-hept-4-enoate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl ester Formula: C24H43NO5S MolecularWeight: 457.66692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SCCC=CC(CC(=O)OC(C)(C)C)OC(=O)C(C(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C24H43NO5S/c1-7-8-9-10-11-15-21(27)31-16-13-12-14-19(17-20(26)30-24(4,5)6)29-23(28)22(25)18(2)3/h12,14,18-19,22H,7-11,13,15-17,25H2,1-6H3/b14-12+/t19-,22+/m1/s1