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

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] (2S)-2-acetamido-3-methyl-pentanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] (2S)-2-acetamido-3-methyl-pentanoate CAS Name: (2S)-2-acetamido-3-methylpentanoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-acetamido-3-methylpentanoate Traditional Name: (2S)-2-acetamido-3-methyl-valeric acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C30H55NO5 MolecularWeight: 509.7614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55NO5/c1-6-9-11-13-14-15-16-17-18-20-25(35-30(34)28(23(4)8-3)31-24(5)32)22-27-26(29(33)36-27)21-19-12-10-7-2/h23,25-28H,6-22H2,1-5H3,(H,31,32)/t23?,25-,26-,27-,28-/m0/s1