[(2S)-1-[(1R,2S)-2-hexyl-3-oxidanylidene-cyclobutyl]tridecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate

Systemtic Name: [(2S)-1-[(1R,2S)-2-hexyl-3-oxidanylidene-cyclobutyl]tridecan-2-yl] (2S)-2-formamido-4-methyl-pentanoate Openeye Name: [(1S)-1-[[(1R,2S)-2-hexyl-3-oxo-cyclobutyl]methyl]dodecyl] (2S)-2-formamido-4-methyl-pentanoate CAS Name: (2S)-2-formamido-4-methylpentanoic acid [(2S)-1-[(1R,2S)-2-hexyl-3-oxocyclobutyl]tridecan-2-yl] ester IUPAC Name: [(2S)-1-[(1R,2S)-2-hexyl-3-oxocyclobutyl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate Traditional Name: (2S)-2-formamido-4-methyl-valeric acid [(1S)-1-[[(1R,2S)-2-hexyl-3-keto-cyclobutyl]methyl]dodecyl] ester Formula: C30H55NO4 MolecularWeight: 493.762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1CC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

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

InChI

InChI=1S/C30H55NO4/c1-5-7-9-11-12-13-14-15-16-18-26(35-30(34)28(31-23-32)20-24(3)4)21-25-22-29(33)27(25)19-17-10-8-6-2/h23-28H,5-22H2,1-4H3,(H,31,32)/t25-,26+,27+,28+/m1/s1