(2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-2-isopropyl-7-methoxy-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-7-methoxy-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-9-dec-1-ynyl-2-isopropyl-7-methoxy-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O3/c1-6-7-8-9-10-11-12-13-14-20-15-23-22(24(16-20)31-5)17-21(18-29)27-26(30)25(19(2)3)28(23)4/h15-16,19,21,25,29H,6-12,17-18H2,1-5H3,(H,27,30)/t21-,25-/m0/s1