(2S,5S)-5-(hydroxymethyl)-1-methyl-9-octadec-1-ynyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-9-octadec-1-ynyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-9-octadec-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-9-octadec-1-ynyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-9-octadec-1-ynyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-2-isopropyl-1-methyl-5-methylol-9-octadec-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C33H54N2O2 MolecularWeight: 510.79406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC1=CC2=C(CC(NC(=O)C(N2C)C(C)C)CO)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC1=CC2=C(C[C@H](NC(=O)[C@@H](N2C)C(C)C)CO)C=C1

InChI

InChI=1S/C33H54N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-22-23-29-25-30(26-36)34-33(37)32(27(2)3)35(4)31(29)24-28/h22-24,27,30,32,36H,5-19,25-26H2,1-4H3,(H,34,37)/t30-,32-/m0/s1