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

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-9-tetradec-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-9-tetradec-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-9-tetradec-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-9-tetradec-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-2-isopropyl-1-methyl-5-methylol-9-tetradec-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C29H46N2O2 MolecularWeight: 454.68774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-18-19-25-21-26(22-32)30-29(33)28(23(2)3)31(4)27(25)20-24/h18-20,23,26,28,32H,5-15,21-22H2,1-4H3,(H,30,33)/t26-,28-/m0/s1