[(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] 3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] 3-(phenylmethoxycarbonylamino)propanoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] 3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)propanoic 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] 3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)propionic acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C33H53NO6 MolecularWeight: 559.77702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)CCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)CCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C33H53NO6/c1-3-5-7-9-10-11-12-13-17-21-28(25-30-29(32(36)40-30)22-18-8-6-4-2)39-31(35)23-24-34-33(37)38-26-27-19-15-14-16-20-27/h14-16,19-20,28-30H,3-13,17-18,21-26H2,1-2H3,(H,34,37)/t28-,29-,30-/m0/s1