[(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridec-12-yn-2-yl] (2S)-2-formamido-4-methyl-pentanoate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridec-12-yn-2-yl] (2S)-2-formamido-4-methyl-pentanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodec-11-ynyl] (2S)-2-formamido-4-methyl-pentanoate CAS Name: (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridec-12-yn-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec-12-yn-2-yl] (2S)-2-formamido-4-methylpentanoate Traditional Name: (2S)-2-formamido-4-methyl-valeric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodec-11-ynyl] ester Formula: C29H49NO5 MolecularWeight: 491.70306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC1=O)CC(CCCCCCCCCC#C)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

CCCCCC[C@H]1[C@@H](OC1=O)C[C@H](CCCCCCCCCC#C)OC(=O)[C@H](CC(C)C)NC=O

InChI

InChI=1S/C29H49NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h1,22-27H,6-21H2,2-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1