[(2S)-1-[(2S,3S)-3-hexyl-4-methylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-methylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-methylene-oxetan-2-yl]methyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate CAS Name: (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-methylene-2-oxetanyl]tridecan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-methylideneoxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate Traditional Name: (2S)-2-formamido-4-methyl-valeric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-methylene-oxetan-2-yl]methyl]dodecyl] ester Formula: C30H55NO4 MolecularWeight: 493.762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=C)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=C)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

InChI

InChI=1S/C30H55NO4/c1-6-8-10-12-13-14-15-16-17-19-26(35-30(33)28(31-23-32)21-24(3)4)22-29-27(25(5)34-29)20-18-11-9-7-2/h23-24,26-29H,5-22H2,1-4H3,(H,31,32)/t26-,27+,28-,29-/m0/s1