[(2S)-2-octanoyloxy-3-oxidanyl-propyl] 8-(phenylmethoxycarbonylamino)octanoate

Systemtic Name: [(2S)-2-octanoyloxy-3-oxidanyl-propyl] 8-(phenylmethoxycarbonylamino)octanoate Openeye Name: [(2S)-3-hydroxy-2-octanoyloxy-propyl] 8-(benzyloxycarbonylamino)octanoate CAS Name: 8-(phenylmethoxycarbonylamino)octanoic acid [(2S)-3-hydroxy-2-(1-oxooctoxy)propyl] ester IUPAC Name: [(2S)-3-hydroxy-2-octanoyloxypropyl] 8-(phenylmethoxycarbonylamino)octanoate Traditional Name: 8-(benzyloxycarbonylamino)caprylic acid [(2S)-2-caprylyloxy-3-hydroxy-propyl] ester Formula: C27H43NO7 MolecularWeight: 493.63282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C27H43NO7/c1-2-3-4-6-13-18-26(31)35-24(20-29)22-33-25(30)17-12-7-5-8-14-19-28-27(32)34-21-23-15-10-9-11-16-23/h9-11,15-16,24,29H,2-8,12-14,17-22H2,1H3,(H,28,32)/t24-/m0/s1