N-[(2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]ethanamide

Systemtic Name: N-[(2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-3-oxidanylidene-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]ethanamide Openeye Name: N-[(2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-3-oxo-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]acetamide CAS Name: N-[(2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]acetamide IUPAC Name: N-[(2S,5S)-9-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]acetamide Traditional Name: N-[(2S,5S)-9-dec-1-ynyl-2-isopropyl-3-keto-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]acetamide Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC2=C(CC(NC(=O)C(N2C)C(C)C)CO)C=C1NC(=O)C

Isomeric SMILES

CCCCCCCCC#CC1=CC2=C(C[C@H](NC(=O)[C@@H](N2C)C(C)C)CO)C=C1NC(=O)C

InChI

InChI=1S/C27H41N3O3/c1-6-7-8-9-10-11-12-13-14-21-17-25-22(16-24(21)28-20(4)32)15-23(18-31)29-27(33)26(19(2)3)30(25)5/h16-17,19,23,26,31H,6-12,15,18H2,1-5H3,(H,28,32)(H,29,33)/t23-,26-/m0/s1